data_2lkz_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 2lkz _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 ' 9' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.797 0.332 . . . . 1.0 110.62 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 19.9 p-10 -174.01 33.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.689 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.68 143.35 22.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.3 164.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.464 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 tt -144.73 138.15 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.646 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -95.14 140.85 29.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.102 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -125.49 149.34 48.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.754 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 t30 62.23 59.17 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.69 146.84 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 157.41 80.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.665 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.39 3.38 5.86 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.627 2.218 . . . . 1.0 112.333 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 58.8 t-80 -104.23 12.31 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.999 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -87.56 145.61 26.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.12 176.28 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.436 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -28.0 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.623 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -41.15 70.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.773 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -63.13 -57.31 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.75 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.89 -35.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.788 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -64.32 -58.88 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 m -68.61 -24.29 64.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 -34.39 66.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.314 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.0 mt -102.45 7.78 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.071 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.42 62.96 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.749 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.21 -4.79 14.61 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.127 1.884 . . . . 1.0 112.388 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -99.41 -27.02 13.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.975 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 175.75 -179.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 t -111.86 130.38 55.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.97 -179.19 3.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.412 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.96 128.94 17.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.62 -38.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.55 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.46 5.03 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.687 -0.233 . . . . 1.0 111.605 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -118.3 0.92 11.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.555 -0.293 . . . . 1.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 pt -132.33 133.1 60.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 1.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -122.15 96.92 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.79 100.74 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.234 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.39 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.953 0.406 . . . . 1.0 111.279 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -87.18 28.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 91.0 29.78 12.23 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.489 -0.645 . . . . 1.0 111.489 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 94.3 m-85 -157.7 146.72 19.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.784 0.326 . . . . 1.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.99 139.83 18.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.471 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.97 140.93 40.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 4.3 p -142.94 128.67 16.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.79 152.21 29.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.107 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.46 165.97 11.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.182 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.188 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -127.98 -177.97 4.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.699 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.59 -48.87 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.65 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.1 mtt -57.21 -38.94 74.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.36 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.718 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.97 19.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.0 p -60.84 -37.93 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -55.36 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.756 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -26.56 67.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.233 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -36.94 32.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.31 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -82.68 -26.61 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.5 mt -76.9 -40.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.741 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tp -77.99 -33.04 51.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.956 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -84.36 -13.4 52.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -70.86 -26.04 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 1.0 110.115 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.6 137.57 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.802 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -55.93 36.14 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.254 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.8 Cg_endo -78.43 114.09 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.165 1.91 . . . . 1.0 112.052 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.38 -176.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.94 1.76 . . . . 1.0 111.725 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -84.48 120.28 26.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 123.07 18.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.959 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -126.54 153.28 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.51 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -34.51 103.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.928 0.394 . . . . 1.0 110.825 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.49 -62.7 0.44 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.56 -178.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.887 0.375 . . . . 1.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -71.11 143.23 50.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.73 133.8 67.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.694 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.49 174.01 15.44 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.293 -0.723 . . . . 1.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.7 t -133.17 140.26 47.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.723 0.297 . . . . 1.0 110.417 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.54 161.56 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.616 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.87 172.53 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.456 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.486 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.749 0.309 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -174.8 31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -152.81 139.07 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.55 163.63 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 2.9 tt -147.31 126.79 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 1.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -83.45 144.74 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.292 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -126.29 149.35 49.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.485 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 62.15 60.53 1.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -102.38 156.94 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.15 159.9 50.05 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.55 2.73 6.58 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.596 2.198 . . . . 1.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 20.8 t-80 -106.97 21.13 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.086 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -87.79 139.07 30.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.817 0.341 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.15 142.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.361 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.66 -23.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 1.0 110.707 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -50.99 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.772 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -68.44 -40.87 80.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.811 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.65 -27.31 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.685 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -74.77 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.736 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -64.51 -24.06 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.077 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 -33.82 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.143 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -102.24 7.84 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -53.54 63.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.728 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -78.06 -4.47 14.4 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.124 1.883 . . . . 1.0 112.16 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -101.5 -28.47 12.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.84 -176.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.706 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.21 129.86 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.317 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.38 -177.35 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.514 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.19 129.98 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.402 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.87 -39.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.658 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -83.46 4.87 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.513 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 1.9 t-20 -118.33 0.05 11.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -126.44 141.62 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.734 0.302 . . . . 1.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -132.09 105.04 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.99 114.94 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.942 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.534 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.03 0.443 . . . . 1.0 111.462 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -89.41 32.88 0.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 90.86 31.56 9.9 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 74.8 m-85 -155.89 147.03 22.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.915 0.388 . . . . 1.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.23 130.05 17.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.476 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.73 135.24 43.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.67 138.95 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.955 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.513 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 15.5 tt0 -121.4 152.48 38.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.035 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.8 165.25 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.118 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -59.85 -37.72 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.046 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 m -124.79 -177.94 4.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.96 -48.82 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ttt -58.58 -42.06 87.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -49.54 -35.19 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.24 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.44 ' H ' ' HG ' ' A' ' 67' ' ' SER . 2.1 p -65.32 -37.95 88.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -53.97 51.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.786 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -23.33 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.327 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -37.28 28.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.76 -28.38 30.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 1.0 110.385 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.29 -42.04 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.97 -32.54 57.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.97 -10.32 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 1.0 110.522 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -68.61 -29.89 68.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.03 0.443 . . . . 1.0 109.961 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.5 138.89 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.988 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -56.62 28.56 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.27 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 67.1 Cg_endo -76.65 114.25 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.083 1.856 . . . . 1.0 112.004 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.0 Cg_exo -48.37 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.75 1.633 . . . . 1.0 111.853 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.9 tp -79.3 122.13 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 1.0 109.951 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 121.04 34.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.588 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.0 mt -121.25 135.93 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.654 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.8 m-20 -33.01 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.417 0.448 . . . . 1.0 110.863 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.42 -58.13 0.53 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -172.19 -179.74 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 1.0 110.678 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 140.9 51.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.48 132.19 69.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.684 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.92 173.4 15.55 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.8 t -131.41 140.04 49.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.804 0.335 . . . . 1.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.11 159.9 42.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.561 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.73 172.98 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.776 0.322 . . . . 1.0 110.458 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -175.42 37.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.876 0.369 . . . . 1.0 110.767 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 139.15 18.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.447 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -106.91 158.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.216 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -138.32 144.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.944 0.402 . . . . 1.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.63 139.07 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.131 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.59 149.65 48.19 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.488 ' C ' ' HZ1' ' A' ' 85' ' ' LYS . 56.8 t30 63.65 57.3 1.44 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.976 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.15 156.57 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.311 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.74 159.86 37.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.735 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.98 2.45 6.6 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.734 2.29 . . . . 1.0 112.164 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 78.6 t60 -103.46 20.12 18.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.064 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 m -87.41 137.36 32.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.609 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.39 142.74 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -48.66 -21.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.18 -54.22 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -64.31 -48.99 73.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.735 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -53.07 -31.53 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.82 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 mmt -73.15 -58.54 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -24.24 65.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.086 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.87 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.322 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.52 7.86 42.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.072 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -53.21 63.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.812 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -78.16 -3.17 13.19 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.106 1.871 . . . . 1.0 112.172 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -100.53 -26.87 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.07 -179.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.427 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.15 133.69 53.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.46 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.71 176.25 5.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.532 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.13 129.89 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.5 t -48.39 -39.61 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.554 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.54 4.38 24.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.623 -0.262 . . . . 1.0 111.554 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.459 ' O ' ' NE2' ' A' ' 59' ' ' GLN . 2.4 t-20 -117.32 0.67 12.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.658 -0.246 . . . . 1.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 pt -131.26 134.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 120.739 0.305 . . . . 1.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -123.44 101.5 7.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.01 101.34 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.708 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 8.6 tt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.576 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.533 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.839 0.352 . . . . 1.0 111.353 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -91.22 32.51 1.03 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.77 24.17 39.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.142 -0.783 . . . . 1.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 96.9 m-85 -158.8 145.58 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 1.0 110.653 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.47 140.63 22.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -107.28 134.34 50.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.13 126.1 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.512 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -112.24 152.4 28.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.133 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.08 165.62 11.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -58.57 -37.84 76.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.15 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -128.37 -178.0 4.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.592 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 -43.15 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.629 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -34.94 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.53 -35.27 77.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -52.87 62.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -62.57 -39.51 93.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -54.96 39.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -24.8 67.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -39.55 27.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.268 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' O ' ' OG ' ' A' ' 75' ' ' SER . 6.8 tt0 -82.73 -27.1 31.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.885 0.374 . . . . 1.0 110.7 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.48 -38.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -80.85 -34.53 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.83 -10.79 59.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 1.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.1 m -70.44 -24.57 62.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.41 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.01 134.96 50.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -57.06 11.08 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.746 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -79.08 150.21 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.985 1.79 . . . . 1.0 111.455 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.96 166.75 29.19 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.065 1.843 . . . . 1.0 111.422 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.0 122.54 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.527 -0.469 . . . . 1.0 109.878 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -116.31 131.09 57.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.225 0.536 . . . . 1.0 110.806 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASP . 83.2 mt -135.26 133.9 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.396 -0.82 . . . . 1.0 108.871 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' ILE . 43.3 m-20 -34.38 103.88 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.322 0.389 . . . . 1.0 110.738 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.28 -48.94 0.71 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.027 -0.606 . . . . 1.0 111.793 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.488 ' HZ1' ' C ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER 177.39 -175.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.887 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.8 t -74.0 141.16 45.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.657 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.51 135.23 61.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.89 173.34 15.11 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.428 -0.669 . . . . 1.0 111.428 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 t -132.6 140.32 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 1.0 110.334 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.92 160.88 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.499 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.1 m-85 -78.38 173.0 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.335 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.575 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 ttp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.856 0.36 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -158.98 27.28 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.485 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.83 134.61 14.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pt -106.84 158.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.43 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.56 140.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.21 143.9 26.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.419 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -122.41 147.4 46.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.615 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t30 75.84 55.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.04 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 17' ' ' ILE . 18.7 mm -100.3 133.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 1.0 110.845 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.27 161.11 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.131 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.45 -5.13 16.56 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.559 2.173 . . . . 1.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 19.5 t-80 -104.4 21.99 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.934 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.84 143.26 27.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.935 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.17 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' MET . 9.1 t -48.36 -24.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.555 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -34.34 62.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 m -73.84 -32.31 63.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -84.9 -24.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.456 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 9.8 mmm -70.47 -57.16 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.695 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -64.94 -24.64 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.927 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.37 65.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.962 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.2 mt -101.77 7.57 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -53.22 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.792 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.07 -5.56 15.24 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.186 1.924 . . . . 1.0 112.424 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -93.45 -26.98 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.69 -171.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.5 123.23 48.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.45 173.16 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.433 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.25 128.44 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -49.03 -38.75 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.493 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -82.37 4.98 21.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.583 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.9 0.83 12.0 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 6.1 pt -133.5 130.5 56.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.5 142.53 49.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.89 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.43 110.31 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.773 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.888 0.375 . . . . 1.0 111.063 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -80.83 25.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.146 0.498 . . . . 1.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 92.11 26.33 19.21 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.297 -0.721 . . . . 1.0 111.297 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' GLY . 45.0 m-85 -153.4 146.26 24.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 1.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.68 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.96 132.02 46.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.765 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.69 152.66 28.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.152 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.08 166.22 10.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.194 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -37.04 82.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.197 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -127.49 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.36 -35.44 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -29.12 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -34.76 78.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.754 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.22 -53.33 59.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -56.04 20.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.768 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -25.2 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.249 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.98 -38.01 37.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.47 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' OG ' ' A' ' 75' ' ' SER . 2.2 tt0 -82.58 -28.42 30.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.619 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -70.52 -42.79 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.7 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.21 -35.55 59.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.64 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.87 -8.78 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.305 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 m -74.31 -26.4 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.244 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.24 138.59 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.849 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -56.74 23.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.066 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 74.3 Cg_endo -77.51 114.1 3.65 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.09 1.86 . . . . 1.0 111.785 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.95 -178.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.802 1.668 . . . . 1.0 111.814 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp -81.27 121.06 25.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 121.71 37.36 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.778 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -122.31 133.74 67.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.512 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 81.5 m-20 -31.15 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.536 0.522 . . . . 1.0 111.0 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.83 -59.23 0.53 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -172.87 173.64 3.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 1.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t -63.47 142.57 58.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.58 131.72 71.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.69 163.85 12.11 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.338 -0.705 . . . . 1.0 111.338 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.85 139.71 42.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.55 166.39 25.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 1.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -87.14 173.08 9.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.437 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.488 179.745 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 ttt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.947 0.404 . . . . 1.0 110.552 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 6.7 p30 -175.08 26.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -153.15 135.08 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.385 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.82 156.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 tt -134.13 144.56 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.387 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.88 140.87 35.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.0 ttm180 -121.44 146.67 46.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.1 t30 80.04 52.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 mm -98.02 127.14 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.553 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 20' ' ' HIS . . . -66.78 154.84 91.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.11 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.54 13.37 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.419 2.08 . . . . 1.0 111.986 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' ALA . 9.8 t60 -120.75 19.65 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.515 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.5 m -87.37 149.05 24.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.906 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 142.51 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.245 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.4 t -45.08 -28.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -54.47 14.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 1.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 m -50.82 -49.95 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.74 -44.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 32.9 mtp -58.79 -60.24 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.026 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -55.98 -25.63 44.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.154 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.03 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 mt -101.21 7.18 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.68 52.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.616 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -77.17 -5.38 15.72 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.185 1.923 . . . . 1.0 112.422 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -92.48 -29.97 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.47 -171.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p -106.74 119.32 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.369 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.54 172.12 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.49 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.11 128.44 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.47 -38.72 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.362 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.86 1.79 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.609 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -114.19 0.91 14.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.682 -0.236 . . . . 1.0 110.996 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -130.63 136.1 59.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 1.0 110.542 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -132.07 123.77 27.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 102.67 14.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.02 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 3.1 tt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.876 0.37 . . . . 1.0 111.468 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -86.5 29.29 0.78 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.466 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 86.23 20.93 53.9 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 31.3 m-85 -151.58 147.51 26.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 1.0 110.702 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.88 135.64 33.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -103.09 133.59 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 1.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.91 125.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 1.2 mp0 -110.49 152.21 26.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.158 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.98 166.15 11.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.116 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.33 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.81 -178.74 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.34 -29.2 23.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptm -78.76 -20.13 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -10.58 59.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.731 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.17 -55.38 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -38.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -59.21 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.78 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -28.19 14.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.915 0.388 . . . . 1.0 110.379 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.44 -38.74 71.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.188 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -81.31 -47.49 13.25 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.02 -39.84 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.505 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 tp -81.23 -42.65 20.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.733 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.53 -11.99 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' GLN . 4.6 t -71.1 -27.11 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.485 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.28 137.04 44.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.168 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -52.94 -60.25 7.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' PRO . 48.1 Cg_endo -70.24 114.14 3.68 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.047 1.831 . . . . 1.0 111.879 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.7 Cg_exo -47.88 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.789 1.659 . . . . 1.0 111.949 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.3 tp -79.34 122.29 26.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.063 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HZ3' ' C ' ' A' ' 85' ' ' LYS . 30.5 tptt -116.89 131.86 56.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.762 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' ASP . 85.4 mt -135.57 134.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.901 -0.777 . . . . 1.0 108.901 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' ILE . 3.2 m-20 -34.26 103.97 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.287 0.367 . . . . 1.0 110.67 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.47 -49.51 0.74 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.923 -0.656 . . . . 1.0 111.892 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.494 ' C ' ' HZ3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER 178.86 -175.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.66 -0.416 . . . . 1.0 111.043 -179.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -74.05 142.89 45.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.89 138.82 50.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.979 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.4 171.66 13.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.5 t -125.41 138.11 55.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.673 0.273 . . . . 1.0 110.438 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.75 161.65 35.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.527 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -79.48 172.89 13.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.519 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.8 ptt? . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.819 0.343 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -169.55 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.625 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -151.53 128.05 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -106.87 129.52 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.302 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 tt -102.58 144.67 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.95 144.67 30.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -126.21 148.06 49.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.291 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.2 t30 73.86 53.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.127 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.27 117.51 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.258 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.91 162.49 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.533 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -70.92 0.1 7.03 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.645 2.23 . . . . 1.0 112.136 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 81.9 t60 -108.47 21.91 16.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.825 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -87.17 135.34 33.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 145.14 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.23 -21.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.581 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -47.54 73.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.681 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -69.28 -42.02 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.703 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.61 -25.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.752 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.92 -59.66 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.755 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -67.46 -24.2 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.038 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.94 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.162 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.9 mt -102.03 7.53 41.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.106 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -53.41 61.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.56 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.13 -5.27 15.66 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.043 1.829 . . . . 1.0 112.155 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -99.75 -27.27 13.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.735 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.4 -177.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.657 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.78 131.43 56.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.94 -178.77 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.411 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.06 128.67 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 t -49.26 -38.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.343 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -81.75 3.62 25.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 1.0 111.54 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.52 1.6 12.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.636 -0.257 . . . . 1.0 110.925 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 pt -133.66 132.59 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.78 0.324 . . . . 1.0 110.436 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -132.36 104.36 6.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.469 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.77 105.22 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.602 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.792 0.329 . . . . 1.0 111.828 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -85.29 28.81 0.7 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.45 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 80.01 22.14 64.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 62.4 m-85 -155.75 147.29 22.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.876 0.369 . . . . 1.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.74 143.35 31.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.544 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.53 131.56 54.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 126.51 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.86 152.35 26.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.175 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.65 165.88 11.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.199 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 t -60.95 -36.88 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.199 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -177.99 4.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.57 -48.4 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.689 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.86 -43.74 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.684 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.93 49.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.82 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.9 p -71.47 -31.89 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -53.84 21.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.669 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.301 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.84 26.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.243 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -82.55 -30.29 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 1.0 110.183 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.86 -35.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -82.74 -35.15 26.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.786 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.87 -11.89 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.433 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -67.24 -29.99 69.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 1.0 109.983 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.88 138.34 48.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.031 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -56.07 37.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.0 Cg_endo -76.47 114.27 3.84 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.026 1.817 . . . . 1.0 111.961 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.6 Cg_exo -47.91 -177.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.866 1.711 . . . . 1.0 111.96 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.75 123.15 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.026 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -123.75 116.29 22.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 1.0 110.946 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 83' ' ' ASP . 77.6 mt -116.2 136.08 54.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 1.0 109.342 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' ILE . 29.6 m-20 -33.36 104.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.385 0.428 . . . . 1.0 110.933 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.88 -56.83 0.53 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -174.5 178.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.0 110.69 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.74 141.37 56.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.17 136.65 56.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.59 171.25 13.63 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.117 -0.793 . . . . 1.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.17 140.14 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 1.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 152.82 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.532 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -72.26 172.92 9.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 1.0 110.69 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -168.54 41.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.597 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -152.81 145.09 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.8 164.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.348 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 tt -145.21 138.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 1.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.68 138.61 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -125.42 150.56 47.16 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 63.1 56.03 1.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.802 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -98.27 151.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 159.09 49.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.742 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -74.71 4.73 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.552 2.168 . . . . 1.0 112.379 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 83.5 t60 -107.39 19.66 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.088 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -87.74 138.89 31.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.692 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -135.14 142.31 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.599 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -45.6 -22.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' VAL . 13.7 t70 -68.64 -43.14 76.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -72.71 -55.47 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.56 -26.13 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 mmt -76.31 -60.65 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -67.89 -24.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.036 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.41 67.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.249 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -100.56 7.2 44.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.966 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -54.14 56.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.6 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.1 -6.43 17.3 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.115 1.877 . . . . 1.0 112.112 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -96.57 -26.43 15.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.67 179.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.482 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.36 126.95 55.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.551 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.57 176.53 5.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.241 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.85 128.59 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -49.37 -39.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.318 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 2.17 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.538 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -115.19 1.91 13.96 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.629 -0.26 . . . . 1.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -133.87 141.7 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 120.848 0.356 . . . . 1.0 110.659 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.52 98.36 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.82 100.02 12.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.225 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.882 0.372 . . . . 1.0 111.528 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -83.27 27.99 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.88 23.14 42.98 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.261 -0.736 . . . . 1.0 111.261 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 78.8 m-85 -157.56 146.96 20.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.319 . . . . 1.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.85 146.47 27.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.682 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -113.62 141.51 47.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.72 139.33 28.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.931 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.34 152.37 36.87 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.205 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.98 165.94 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.199 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -59.1 -37.63 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -136.9 -177.93 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.664 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.36 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.68 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -38.48 65.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.764 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -43.91 95.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.724 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -50.48 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 p -63.02 -35.3 79.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.87 6.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.732 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.06 -30.12 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.446 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -77.14 -35.35 56.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.69 -26.86 31.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 1.0 110.493 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.403 HD13 HG23 ' A' ' 72' ' ' ILE . 81.1 mt -75.41 -39.2 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -79.16 -33.24 44.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.729 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 97.6 mt-30 -81.75 -13.53 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -26.17 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 1.0 109.94 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.24 137.52 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.054 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -55.56 43.05 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.9 Cg_endo -77.92 114.17 3.57 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.074 1.849 . . . . 1.0 111.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.3 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 121.829 1.686 . . . . 1.0 111.911 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -81.34 118.98 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.95 38.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.998 0.428 . . . . 1.0 110.741 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.9 mt -123.29 136.59 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.498 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.4 m-20 -31.08 104.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 111.007 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.17 -60.44 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.74 176.94 2.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.35 . . . . 1.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -63.6 140.33 58.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.749 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.44 134.1 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.568 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.52 173.42 15.02 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.361 -0.696 . . . . 1.0 111.361 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -132.09 139.91 49.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.374 . . . . 1.0 110.306 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.03 157.96 44.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -74.9 172.95 11.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.554 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.2 ttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.38 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 9.1 p30 -167.28 23.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.703 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -153.01 136.77 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.273 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.85 159.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.406 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -132.84 144.55 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.41 143.34 30.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -123.88 148.7 46.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.493 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t30 72.21 60.58 0.13 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.024 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 20.3 mm -102.05 142.31 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.574 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.03 159.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.251 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.68 8.73 1.48 Allowed 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.637 2.224 . . . . 1.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -119.66 26.27 9.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.638 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 2.2 m -87.78 137.65 32.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.818 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.19 159.52 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.401 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.98 -24.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -27.59 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.758 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -75.06 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.676 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 mm -85.22 -24.21 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -71.52 -55.91 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -68.04 -24.7 65.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.092 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -36.41 60.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.47 7.71 40.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.7 0.286 . . . . 1.0 111.315 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -54.29 56.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.56 -0.291 . . . . 1.0 111.68 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.79 -5.23 15.79 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.135 1.89 . . . . 1.0 112.164 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -98.54 -28.62 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.788 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.93 -177.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.057 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.24 -174.68 2.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.65 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.69 129.13 17.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.418 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -48.72 -38.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.484 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.99 5.2 22.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.65 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.48 0.31 11.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.586 -0.279 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.83 127.69 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.77 128.28 36.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.723 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.5 140.67 29.3 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.3 tt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.766 0.317 . . . . 1.0 111.366 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.526 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 11.4 mtp85 -86.9 26.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.574 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 96.78 5.12 58.78 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.043 -0.598 . . . . 1.0 112.181 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -141.97 165.99 25.95 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.147 0.474 . . . . 1.0 110.845 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.79 146.43 22.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -105.77 133.03 51.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.482 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.03 122.76 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -110.35 152.26 26.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.035 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.79 165.43 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.7 m -61.81 -36.91 82.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.163 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m -115.24 175.51 5.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.523 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.85 21.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -76.44 -42.2 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.37 -23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.14 -60.05 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 p -61.33 -34.08 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.44 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -55.21 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.789 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -22.01 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.588 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.21 -36.55 39.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -82.32 -28.42 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.3 mt -71.0 -36.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.26 -33.79 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.657 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.81 -11.51 59.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -70.47 -28.49 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 1.0 110.113 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.08 138.14 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.981 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -59.71 -53.88 61.26 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.304 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 75.2 Cg_endo -79.28 113.9 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.077 1.851 . . . . 1.0 111.856 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.17 -177.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 121.826 1.684 . . . . 1.0 111.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -78.76 122.64 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.835 -0.431 . . . . 1.0 109.835 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.63 116.16 24.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.758 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' ASP . 91.1 mt -115.87 135.81 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.463 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 74.0 m-20 -32.72 104.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.392 0.432 . . . . 1.0 111.104 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.57 -56.7 0.55 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -173.9 177.88 2.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 1.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -68.57 142.55 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.18 134.46 62.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.97 161.83 12.63 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -114.99 141.98 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.682 0.277 . . . . 1.0 110.5 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.57 160.77 39.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.94 172.88 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.881 0.372 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -173.79 27.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.614 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.75 144.45 23.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.444 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.61 165.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.3 tt -148.28 127.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.503 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -86.32 150.64 24.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.775 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -131.72 149.78 52.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.348 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.6 t30 71.0 56.72 0.21 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 17' ' ' ILE . 16.7 mm -99.02 126.44 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 20' ' ' HIS . . . -61.51 122.63 72.15 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.201 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.85 -10.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.958 1.772 . . . . 1.0 112.624 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 18' ' ' ALA . 53.6 t-80 -96.51 16.92 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 111.291 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -87.43 152.42 22.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.351 . . . . 1.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.33 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.394 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.06 -24.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.616 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -46.85 82.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.688 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 m -72.22 -59.36 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.89 -27.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.7 mmm -77.33 -58.5 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.793 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -59.16 -24.27 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.932 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -32.08 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.24 7.43 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.948 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -52.55 60.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.694 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.06 -3.08 13.14 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.176 1.918 . . . . 1.0 112.382 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -96.92 -28.09 14.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.9 -170.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.48 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -108.63 119.4 39.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.235 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.42 164.37 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.529 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.23 130.99 19.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.544 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 t -48.46 -40.34 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.402 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -81.58 2.64 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.591 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -115.82 2.01 13.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.624 -0.262 . . . . 1.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.4 pt -131.23 137.3 55.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.657 0.265 . . . . 1.0 110.378 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.0 117.2 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.44 106.9 18.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.84 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.525 -179.684 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.2 p30 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.723 0.296 . . . . 1.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 26.6 mtp180 -83.0 26.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.542 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 96.56 4.75 59.21 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 121.071 -0.585 . . . . 1.0 111.696 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -136.33 167.46 21.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 1.0 110.603 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -154.94 133.93 12.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.25 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.54 135.89 41.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p -142.61 135.06 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.76 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.49 148.24 42.81 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.38 165.88 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.081 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.2 t -63.99 -36.0 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.245 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -123.41 -177.81 3.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.757 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.87 -48.87 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.881 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.17 -40.05 88.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.902 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.95 -40.69 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -56.78 17.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -60.89 -39.92 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -55.24 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -25.11 65.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 1.0 110.166 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -80.23 -37.11 33.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.22 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.74 -27.33 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.405 HD12 HG21 ' A' ' 72' ' ' ILE . 17.9 mt -73.64 -42.0 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.871 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -76.92 -32.08 57.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.551 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.4 mt-30 -85.05 -10.55 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.97 65.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 1.0 109.955 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.72 137.74 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.993 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -56.49 29.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.044 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.9 Cg_endo -76.39 114.49 3.89 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.087 1.858 . . . . 1.0 111.883 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 78' ' ' PRO . 53.1 Cg_exo -47.81 -177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.83 1.687 . . . . 1.0 111.828 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.72 120.93 24.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.664 -0.414 . . . . 1.0 109.933 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -122.26 117.42 26.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.853 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.5 mt -118.6 135.43 59.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.447 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 10.2 m-20 -31.7 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.473 0.483 . . . . 1.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.1 -57.46 0.52 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.08 -177.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 1.0 110.604 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -71.79 139.27 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -116.51 133.62 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.575 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.47 174.15 15.54 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.66 -0.576 . . . . 1.0 111.66 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.7 t -132.28 140.15 48.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.359 . . . . 1.0 110.471 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.02 157.87 44.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.626 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -76.94 172.93 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 18.6 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -168.81 30.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -152.76 138.87 18.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.245 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -106.78 158.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.229 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.415 ' CD1' ' CZ ' ' A' ' 57' ' ' PHE . 6.9 tt -135.5 138.53 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.601 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.3 133.52 43.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.172 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -121.34 153.21 38.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.843 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.01 56.34 3.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.4 153.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.617 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.74 160.26 53.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.73 -0.72 10.2 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.681 2.254 . . . . 1.0 112.433 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.74 20.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.135 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -88.03 138.4 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.727 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.1 142.45 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.462 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -52.76 -23.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.87 -46.5 84.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -70.46 -47.43 60.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.599 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.36 -27.81 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mmt -74.52 -58.26 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -66.54 -24.19 66.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.38 -32.99 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.258 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -103.5 8.12 37.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -52.76 65.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.464 -0.335 . . . . 1.0 111.764 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.75 -3.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.147 1.898 . . . . 1.0 112.396 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -103.61 -27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.961 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.14 -178.1 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.654 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.81 127.55 53.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.56 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.01 129.54 17.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.464 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.29 -39.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 1.0 111.464 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -81.84 -0.54 43.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.687 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -112.25 0.71 15.85 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.66 -0.246 . . . . 1.0 111.178 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 pt -123.51 138.51 53.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 1.0 110.643 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -132.01 114.61 14.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 100.64 11.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.054 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 5.9 tt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.239 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.821 0.344 . . . . 1.0 111.048 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -86.58 36.06 0.69 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 37.39 14.73 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.41 159.56 33.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 1.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.86 152.5 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.568 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 3.1 m-85 -124.62 129.74 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.345 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.62 139.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.688 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -124.0 152.5 42.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.125 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.75 164.87 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.07 86.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.102 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -118.62 176.18 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -29.21 23.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.753 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mtm -75.53 -45.78 36.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -34.35 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.572 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -58.24 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.546 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -60.25 -38.93 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.306 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.8 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.2 -28.56 62.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -38.1 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.585 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.72 -30.38 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 mt -68.91 -42.38 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.16 -35.52 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.672 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -81.65 -7.76 59.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.409 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.89 -26.33 61.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.463 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.23 136.61 56.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.47 -57.6 10.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.57 -0.452 . . . . 1.0 110.594 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.42 148.62 23.74 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.922 1.748 . . . . 1.0 111.407 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.64 165.56 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.022 1.815 . . . . 1.0 111.485 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ILE . 61.4 tp -61.51 115.86 4.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.6 tmtt? -114.36 115.77 27.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.018 0.437 . . . . 1.0 111.242 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' ASP . 86.5 mt -116.88 136.43 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.523 -0.762 . . . . 1.0 109.158 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ILE . 1.3 m-20 -33.06 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.423 . . . . 1.0 110.799 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.62 -54.84 0.56 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -177.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -70.3 142.51 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.6 mm -123.22 136.92 58.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.48 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.1 161.33 13.49 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.291 -0.724 . . . . 1.0 111.291 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.72 137.91 54.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.693 0.282 . . . . 1.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.19 162.83 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 21.0 m-85 -74.93 172.78 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.55 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.662 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.4 ttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.0 0.428 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.477 ' C ' ' HG1' ' A' ' 11' ' ' THR . 42.3 p-10 -165.49 30.36 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.477 ' HG1' ' C ' ' A' ' 10' ' ' ASP . 67.4 m -152.79 138.1 17.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mm -106.98 160.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.342 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.45 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.1 tt -142.42 122.64 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.04 146.2 35.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.568 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -125.71 148.49 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 t30 70.51 59.49 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.358 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 17' ' ' ILE . 34.6 mm -98.05 136.93 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.355 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 159.52 85.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.4 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.07 0.2 7.59 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.587 2.192 . . . . 1.0 112.171 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -115.33 29.57 7.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.677 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -87.45 140.11 29.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.97 142.3 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -21.49 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.9 -60.73 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -63.85 -57.17 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -45.04 -31.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.701 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.3 mmm -78.1 -58.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 1.0 110.739 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -61.07 -24.34 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.984 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.83 -32.71 65.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.956 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.17 7.56 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -52.7 61.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.66 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.1 -2.73 12.81 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.159 1.906 . . . . 1.0 112.359 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.47 -27.07 14.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.49 -170.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 1.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.21 123.66 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.34 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.48 171.35 7.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.602 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.09 128.24 16.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.339 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.54 -39.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.37 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.3 1.63 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.578 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -114.28 1.65 14.54 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -135.17 127.55 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 1.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -132.74 130.09 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.698 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -93.31 137.68 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.434 . . . . 1.0 109.927 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.437 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.857 0.361 . . . . 1.0 110.953 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -86.45 24.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 1.0 110.75 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 91.61 29.79 11.55 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.401 -0.679 . . . . 1.0 111.401 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 58.7 m-85 -156.77 147.0 21.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 1.0 111.064 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.11 139.65 30.52 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.34 136.02 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.18 134.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.441 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -120.81 152.78 37.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.98 165.39 11.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.041 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -37.7 82.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.149 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 -177.92 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.513 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.51 -49.35 11.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.764 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttp -58.52 -39.58 80.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.723 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.81 -29.06 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.48 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.26 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.475 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.59 -58.36 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.716 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -26.59 24.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.319 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.4 -37.95 56.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.5 tt0 -82.68 -26.86 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.793 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.2 mt -72.1 -40.7 67.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -78.83 -35.56 43.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -81.67 -9.01 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.153 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -73.73 -24.62 59.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.542 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.58 135.29 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -56.91 14.13 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.795 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.68 140.63 21.21 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.849 1.699 . . . . 1.0 111.702 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.37 166.07 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.028 1.818 . . . . 1.0 111.613 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.43 126.83 28.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.692 -0.484 . . . . 1.0 109.692 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 81' ' ' LYS . 1.6 tptt -137.9 122.93 19.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.139 0.495 . . . . 1.0 111.005 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -127.39 148.89 32.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.367 -0.975 . . . . 1.0 108.367 178.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.9 m-20 -35.33 102.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.807 0.337 . . . . 1.0 110.672 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.34 -57.88 0.45 Allowed Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.793 -0.717 . . . . 1.0 111.898 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.06 -174.77 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.784 -0.366 . . . . 1.0 111.064 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -73.98 142.5 45.83 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.2 mm -123.89 135.52 63.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.109 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.17 167.39 12.62 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.304 -0.719 . . . . 1.0 111.304 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.78 138.2 52.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.708 0.29 . . . . 1.0 110.429 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.69 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -75.17 169.13 18.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.631 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.1 ttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.957 0.408 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -175.76 36.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.46 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -152.77 142.16 21.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.478 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.7 140.32 27.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 57' ' ' PHE . 3.6 mm -115.87 112.06 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.345 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.16 138.2 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.1 ttm180 -123.06 146.59 47.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.468 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 41.1 t30 77.33 52.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.193 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 HG21 HD12 ' A' ' 17' ' ' ILE . 29.5 mm -95.59 134.77 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.0 110.387 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.84 86.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.261 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.29 7.11 2.3 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.47 2.113 . . . . 1.0 112.206 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 69.2 t60 -123.45 29.74 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -87.36 145.63 26.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.806 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.08 142.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.336 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.1 t -52.09 -23.6 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.646 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -35.59 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -74.48 -33.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.06 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -85.02 -24.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 12.0 mmm -73.89 -57.13 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.668 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.0 m -64.57 -24.45 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.67 -32.42 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -100.24 7.29 44.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.915 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -52.64 61.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.66 -3.48 13.62 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.061 1.841 . . . . 1.0 112.309 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -94.78 -28.81 15.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.56 -169.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.63 123.21 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.51 172.66 6.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.429 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.0 127.99 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.319 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.3 t -49.37 -39.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.41 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.87 2.48 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.541 -0.299 . . . . 1.0 111.393 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -114.43 1.51 14.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.722 -0.217 . . . . 1.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.442 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.8 pt -134.99 128.65 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.274 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.92 137.11 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.86 138.64 37.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.888 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.413 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.79 0.329 . . . . 1.0 111.055 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -90.74 34.28 0.91 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 81.55 25.32 54.23 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.278 -0.729 . . . . 1.0 111.278 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 81.9 m-85 -155.65 146.85 22.57 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.004 0.43 . . . . 1.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.66 131.32 22.6 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.374 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 13' ' ' ILE . 11.0 m-85 -98.03 137.04 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.48 128.04 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -113.42 151.62 31.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.271 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.58 166.51 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.222 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.116 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -129.86 -177.97 4.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.14 -48.94 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.667 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 ttt -54.65 -39.38 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.48 -29.97 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.576 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 -52.8 16.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.539 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 p -61.7 -36.14 80.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -59.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -29.83 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -36.97 61.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -82.68 -28.61 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 1.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.36 -37.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.736 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -80.06 -31.76 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.752 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.14 -12.3 57.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.486 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -69.92 -27.05 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 1.0 110.275 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.5 mt -73.25 137.09 44.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.067 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -56.12 31.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.257 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.8 114.11 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.176 1.917 . . . . 1.0 112.059 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.1 Cg_exo -48.75 -176.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.777 1.651 . . . . 1.0 111.892 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.14 122.46 24.34 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -119.38 122.14 41.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.866 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -125.59 131.55 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.025 -0.731 . . . . 1.0 109.025 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 65.5 m-20 -33.66 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.341 0.401 . . . . 1.0 110.858 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -45.18 0.86 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.943 -0.646 . . . . 1.0 111.626 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 pttt 175.34 -175.9 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.796 0.298 . . . . 1.0 110.876 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.37 141.43 43.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.75 137.39 54.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.962 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.7 172.41 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 t -127.7 141.35 46.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 1.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.75 157.11 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.64 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.3 m-85 -76.92 173.08 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.387 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.555 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 1.0 110.496 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.28 23.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.95 133.86 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 pt -106.75 143.4 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.408 ' CD1' ' CZ ' ' A' ' 57' ' ' PHE . 4.5 tt -116.68 143.96 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.558 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.98 151.74 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.424 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -133.83 149.42 51.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.406 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.2 t30 66.01 59.91 0.68 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -102.49 120.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 160.22 37.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.35 2.92 5.15 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.555 2.17 . . . . 1.0 112.257 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.513 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 1.7 t60 -107.51 14.26 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.005 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -87.33 139.16 30.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 151.54 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.449 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.76 -24.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -45.35 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -71.87 -42.31 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.549 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.4 -24.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.57 -57.85 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -69.19 -24.27 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.54 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.17 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.7 mt -101.3 7.48 42.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.041 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.92 58.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.635 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.74 -4.63 15.18 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.002 1.801 . . . . 1.0 112.215 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -99.84 -26.81 13.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.94 -179.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.62 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -113.08 128.58 56.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.33 -176.16 2.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.347 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.86 129.63 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -48.39 -39.79 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.507 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -82.13 1.98 33.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.652 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -115.56 1.09 13.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.647 -0.251 . . . . 1.0 110.998 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 pt -127.52 135.0 64.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.89 0.376 . . . . 1.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 110.92 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.686 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 1.0 111.338 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 45.8 1.01 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.975 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.7 13.42 82.43 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.03 157.27 40.26 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.989 0.423 . . . . 1.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.16 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 2.2 m-85 -125.78 129.73 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.72 128.74 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.555 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -116.85 152.58 34.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.71 165.91 11.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.049 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.0 p -66.77 -35.3 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.289 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -114.66 173.86 6.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.646 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.99 21.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.671 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -23.09 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.662 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.91 -14.44 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.85 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 p -58.88 -36.34 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.382 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -56.42 22.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -25.75 67.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.291 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -39.06 31.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.57 -26.82 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 1.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.2 -41.35 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 tp -77.69 -33.0 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.733 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.19 -10.82 57.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -69.81 -29.13 66.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 1.0 109.965 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.36 140.11 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.005 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -57.3 25.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.106 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.8 Cg_endo -75.96 114.36 3.91 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.156 1.904 . . . . 1.0 111.975 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.8 Cg_exo -48.11 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.811 1.674 . . . . 1.0 112.029 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.16 124.93 29.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.35 120.85 33.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.748 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -120.91 133.69 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.334 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' ILE . 28.0 m-20 -31.39 104.03 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.443 0.465 . . . . 1.0 111.135 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -57.61 0.53 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.86 179.46 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.724 0.297 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 140.95 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.47 137.69 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.624 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.02 171.02 14.05 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.265 -0.734 . . . . 1.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.27 140.15 49.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 1.0 110.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.43 158.73 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.1 163.2 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.448 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.576 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.514 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.956 0.408 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.09 26.82 0.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.391 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -152.66 145.48 24.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.157 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.88 168.16 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.545 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.26 136.89 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.362 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.21 146.89 24.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -127.81 147.96 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.164 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t30 73.09 54.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.183 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.424 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 35.9 mm -95.47 140.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.286 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.68 162.94 68.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.43 1.38 6.86 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.812 2.342 . . . . 1.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 1.8 t-80 -116.0 29.76 7.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.913 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 1.8 m -87.39 139.2 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.18 158.71 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.44 -22.37 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -68.71 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.706 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 m -65.86 -52.44 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.68 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.6 -24.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mmt -77.45 -57.99 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.5 m -67.06 -24.17 65.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.955 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.1 -34.78 64.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.248 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -102.08 7.49 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.97 57.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.501 -0.318 . . . . 1.0 111.576 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.98 -5.13 15.63 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.131 1.887 . . . . 1.0 112.225 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -101.25 -27.22 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.68 -179.25 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.507 ' H ' ' HG ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -115.85 129.74 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.379 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.75 -175.59 2.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.484 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.84 128.82 17.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.365 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.23 -39.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.392 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.48 4.37 21.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.464 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -117.65 1.4 12.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.21 129.69 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -132.71 129.65 39.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.4 137.22 32.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 7.4 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.2 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.524 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.707 0.289 . . . . 1.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -84.05 27.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.901 0.382 . . . . 1.0 110.593 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 87.52 31.68 15.46 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 73.7 m-85 -158.74 147.63 18.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 1.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.14 146.77 28.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.468 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.52 139.08 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 3.8 p -142.54 129.05 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -117.75 151.98 36.2 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.069 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.83 165.36 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.075 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -64.34 -36.18 83.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -117.32 172.76 7.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.674 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.33 -31.1 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -22.73 48.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -27.95 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.34 -58.93 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -58.52 -37.85 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -57.76 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -28.41 63.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -35.4 55.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.75 -28.74 30.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.8 mt -74.81 -38.31 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.808 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.4 -31.46 37.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -83.58 -12.9 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.508 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -26.12 64.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.854 0.359 . . . . 1.0 110.295 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.35 139.87 46.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.592 . . . . 1.0 109.843 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.649 ' H ' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -60.86 -53.04 67.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 120.891 -0.323 . . . . 1.0 111.274 -179.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 73.0 Cg_endo -77.54 113.67 3.56 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.958 1.772 . . . . 1.0 111.658 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.9 Cg_exo -49.07 -176.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.743 1.629 . . . . 1.0 111.951 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.49 120.95 25.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.911 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -121.28 116.59 25.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.83 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -116.61 135.81 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.489 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 5.7 m-20 -33.14 104.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.425 0.453 . . . . 1.0 111.002 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.64 -56.74 0.54 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -173.91 -178.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.811 0.339 . . . . 1.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.25 141.02 50.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.06 135.2 60.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.75 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.25 172.66 14.43 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 t -128.51 140.47 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.63 151.31 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.505 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 9.0 m-85 -71.37 172.83 8.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.94 0.4 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -164.3 26.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.602 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -152.74 137.82 17.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.22 159.75 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.27 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.65 141.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.087 0.47 . . . . 1.0 110.627 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -96.75 153.55 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.189 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.22 146.64 50.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.455 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.3 t30 60.84 68.9 0.71 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.819 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.419 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 3.6 mm -98.2 146.54 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.255 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 160.9 73.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.843 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.51 -10.15 21.89 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.733 2.289 . . . . 1.0 112.461 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 2.3 t-80 -104.54 23.52 13.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.83 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 91.1 m -87.25 131.4 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.13 -177.42 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.337 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.33 -25.21 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.63 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.45 -56.46 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -48.24 80.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.715 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -50.4 -38.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.67 -57.88 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.423 . . . . 1.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.318 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.38 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.732 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.6 mt -103.41 8.07 38.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 1.0 111.357 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.7 61.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.45 -3.83 13.68 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.2 1.933 . . . . 1.0 112.371 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -99.8 -27.63 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.068 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.19 -179.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 1.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 130.91 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -113.18 -175.18 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.467 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.62 128.66 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -48.82 -39.07 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -82.12 4.15 24.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.58 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.72 1.89 11.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.571 -0.286 . . . . 1.0 110.958 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 130.84 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.838 0.351 . . . . 1.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.6 115.15 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -91.2 111.25 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.783 0.325 . . . . 1.0 111.388 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -94.49 33.8 1.38 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.17 44.82 9.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 82.9 m-85 -162.05 146.72 12.66 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.676 0.274 . . . . 1.0 110.767 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.9 138.06 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.649 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -107.37 133.07 52.44 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.69 124.12 19.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.551 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -110.2 152.6 25.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.123 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.59 165.24 11.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.959 -0.386 . . . . 1.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -65.05 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.314 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 165.88 11.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.27 -22.15 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -93.47 -1.48 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -7.64 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 1.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.41 -55.98 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.1 p -61.64 -33.93 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.475 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -57.36 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.673 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -26.53 65.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -36.91 57.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.42 -33.56 28.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.414 ' O ' ' OG ' ' A' ' 75' ' ' SER . 18.6 mt -65.42 -40.76 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.576 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.83 -34.8 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.472 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -77.84 -9.74 59.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.57 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 72' ' ' ILE . 88.6 p -67.47 -30.05 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 1.0 110.034 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.94 135.55 53.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.601 . . . . 1.0 109.637 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.58 -51.63 65.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.763 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' PRO . 87.2 Cg_endo -84.56 113.1 1.64 Allowed 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.32 2.013 . . . . 1.0 111.515 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.8 Cg_exo -47.83 -178.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.846 1.697 . . . . 1.0 111.757 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.63 116.98 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.102 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 2.0 tmtt? -108.69 104.89 14.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.832 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 83' ' ' ASP . 96.4 mt -104.22 136.96 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.539 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 82' ' ' ILE . 2.0 m-20 -30.31 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.524 0.515 . . . . 1.0 111.228 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.59 -61.38 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.78 178.45 4.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.868 0.366 . . . . 1.0 110.883 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t -72.84 142.86 47.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -110.42 133.9 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.375 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.42 164.12 12.35 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.397 -0.681 . . . . 1.0 111.397 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.29 138.1 49.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.741 0.305 . . . . 1.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.63 159.97 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.68 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.29 173.0 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.752 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.4 t0 -172.68 32.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 m -152.8 127.85 9.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.71 134.46 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.418 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.8 mt -111.21 132.26 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.25 143.28 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.6 ttm180 -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.5 t30 79.18 53.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.906 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.8 130.36 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.789 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 159.42 85.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.133 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.06 1.6 5.77 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.54 2.16 . . . . 1.0 112.196 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -110.54 23.17 14.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -87.51 141.38 28.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.3 40.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.348 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 t -53.79 -22.33 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.62 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.47 -52.39 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.759 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -68.71 -58.4 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.86 -27.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.639 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 9.2 mmm -77.0 -58.25 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -62.51 -24.36 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.41 -32.18 66.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.949 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.57 7.47 42.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.108 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -53.27 57.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.647 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.55 -3.44 13.62 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.177 1.918 . . . . 1.0 112.338 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.69 -26.98 14.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.22 -170.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 123.88 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.304 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.06 171.4 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.661 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.96 128.79 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.44 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.09 -38.99 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.421 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.16 4.69 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.476 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.55 1.95 11.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.6 pt -134.2 130.62 54.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.916 0.388 . . . . 1.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.56 133.35 43.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.693 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 102.08 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.991 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.5 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.199 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.821 0.343 . . . . 1.0 111.311 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.78 28.37 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.437 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 84.67 24.12 47.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CG ' ' C ' ' A' ' 54' ' ' GLY . 43.8 m-85 -155.18 146.82 23.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.415 . . . . 1.0 110.773 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.64 131.51 37.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.237 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -99.48 127.23 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.79 137.78 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -119.74 152.48 37.13 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.22 166.11 10.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.111 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -60.62 -37.4 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.131 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 5.6 m -139.36 176.82 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.737 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.01 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.711 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -40.51 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.684 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.96 -45.23 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.719 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.73 -53.19 59.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.2 p -59.8 -39.49 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -60.02 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.94 -29.84 9.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -36.69 59.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.258 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -82.85 -25.5 32.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.3 mt -77.21 -39.66 28.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.15 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -80.12 -30.83 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.41 -13.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -70.17 -26.15 63.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.996 0.427 . . . . 1.0 110.059 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.88 138.4 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.98 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -56.7 26.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.059 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.58 114.18 3.91 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.078 1.852 . . . . 1.0 111.971 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.8 Cg_exo -48.26 -177.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.854 1.703 . . . . 1.0 111.922 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.1 tp -77.97 122.24 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.484 ' HZ1' ' C ' ' A' ' 85' ' ' LYS . 30.4 tptt -117.03 131.94 56.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.179 0.514 . . . . 1.0 110.906 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -135.55 134.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.439 -0.8 . . . . 1.0 108.991 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -33.86 104.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.448 0.467 . . . . 1.0 110.866 -179.346 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.9 -48.64 0.78 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.83 -0.7 . . . . 1.0 111.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.484 ' C ' ' HZ1' ' A' ' 81' ' ' LYS . 0.5 OUTLIER 178.93 -176.31 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.458 . . . . 1.0 111.122 -179.149 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t -74.73 142.99 44.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.501 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.37 136.59 56.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.888 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.4 173.82 15.69 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.392 -0.683 . . . . 1.0 111.392 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.28 141.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.736 0.303 . . . . 1.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.0 163.87 32.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.681 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -83.39 173.12 11.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.52 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.531 179.799 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 9' ' ' MET . 7.0 tmm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.072 0.463 . . . . 1.0 110.716 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -174.6 30.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.523 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.91 132.29 12.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.395 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.85 127.42 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.82 144.46 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.673 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.31 148.83 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -129.68 150.93 50.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.424 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 68.81 55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 1.0 111.129 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.9 mm -95.74 134.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 162.46 74.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.13 -3.97 14.3 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.768 2.312 . . . . 1.0 112.252 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.16 22.87 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.824 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -87.35 129.94 34.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.667 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.17 142.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.31 -24.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -67.68 -44.88 76.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.715 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 m -71.15 -50.33 34.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.701 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.22 -24.58 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -74.6 -57.67 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.9 m -66.92 -24.27 66.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.024 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.435 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.85 7.79 41.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.678 0.275 . . . . 1.0 111.092 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.24 62.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.721 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.42 -4.01 14.25 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.157 1.905 . . . . 1.0 112.231 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -102.06 -27.68 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.05 -177.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -116.11 131.4 56.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.79 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.456 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.08 129.87 18.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.468 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.05 -39.83 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.347 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.07 2.73 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.481 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -116.65 1.75 12.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.839 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.91 129.16 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.877 0.37 . . . . 1.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -132.5 120.46 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.03 139.23 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.009 0.433 . . . . 1.0 110.614 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.775 0.322 . . . . 1.0 111.059 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 24.3 mtt180 -91.43 33.3 1.0 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.087 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 81.48 25.27 54.64 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 32.3 m-85 -147.95 147.89 30.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 1.0 110.74 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.98 136.64 17.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.385 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.84 130.84 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.78 123.84 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -111.59 152.77 27.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.278 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.27 166.52 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.202 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -58.58 -37.2 75.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.26 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -127.94 -178.87 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.712 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.91 -33.53 21.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -25.19 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.55 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.64 -13.76 61.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.646 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.99 -58.98 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -36.76 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.354 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -25.48 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -79.74 -38.47 33.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.281 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.84 -26.29 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.72 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.62 -40.53 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.054 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.75 -31.62 46.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.863 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.6 mt-30 -85.9 -12.17 51.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.749 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.18 -26.45 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.017 0.437 . . . . 1.0 110.041 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.54 138.29 50.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.009 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -56.49 28.38 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.7 Cg_endo -76.35 114.27 3.85 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.147 1.898 . . . . 1.0 111.944 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.91 -177.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.848 1.699 . . . . 1.0 112.025 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.0 120.4 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -121.81 116.8 25.11 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.824 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -116.43 133.71 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.34 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.3 m-20 -32.67 104.04 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.425 0.453 . . . . 1.0 110.974 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.38 -54.23 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -179.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 1.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 t -71.86 142.57 49.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.716 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -121.03 135.98 59.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.23 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.303 -0.719 . . . . 1.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.9 t -131.88 141.28 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.66 0.267 . . . . 1.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -143.06 151.64 41.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.664 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -71.06 173.02 8.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.545 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.866 0.365 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.5 t0 -172.12 24.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 123.13 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.61 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.31 136.36 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.167 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.84 120.01 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.529 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.27 133.45 37.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.5 ttm180 -117.27 146.85 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.423 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 86' ' ' THR . 40.9 t30 80.19 53.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 17' ' ' ILE . 27.8 mm -96.6 124.82 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.317 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' ND2' ' A' ' 52' ' ' ASN . . . -71.26 161.29 79.16 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.416 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -70.34 4.05 2.67 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.593 2.195 . . . . 1.0 112.227 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 20' ' ' HIS . 33.8 t60 -116.19 27.43 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.805 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.29 137.91 31.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 1.0 110.988 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.14 142.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.479 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.86 -21.64 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -40.13 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.64 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.0 m -66.67 -56.3 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -50.93 -46.21 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.4 mtt -49.84 -59.15 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.9 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -34.85 69.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 34' ' ' ALA . 49.0 mt -101.08 7.34 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.013 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.93 59.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.645 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.06 -4.74 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.117 1.878 . . . . 1.0 112.211 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.21 -26.5 12.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 176.06 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.44 83.16 7.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.616 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -174.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.508 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.15 127.7 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.44 -39.32 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.35 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -80.29 2.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.542 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 2.4 t-20 -115.82 1.88 13.49 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.665 0.269 . . . . 1.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -138.44 126.37 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -132.87 119.63 20.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.791 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.87 108.01 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.227 -179.168 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 18' ' ' ALA . 2.5 p30 . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 120.74 0.305 . . . . 1.0 111.784 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 4.6 ttp180 -78.76 24.18 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.326 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 93.89 3.21 64.18 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.139 -0.553 . . . . 1.0 111.88 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -153.04 166.7 31.62 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 122.494 -0.415 . . . . 1.0 110.74 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.18 142.16 16.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.111 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.75 140.7 29.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.888 0.375 . . . . 1.0 110.677 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.43 128.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.345 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.411 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 11.4 tt0 -115.17 149.59 37.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.395 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.15 166.69 10.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -58.64 -37.42 75.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.269 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 49.3 m -136.73 172.86 12.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -77.15 -21.63 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.618 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.02 -19.03 59.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.15 -54.75 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -36.77 83.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -54.68 43.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.615 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -23.1 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.75 -38.19 26.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.321 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -82.55 -28.98 30.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 1.0 110.16 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mt -74.8 -36.1 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.405 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tp -82.81 -34.31 26.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.645 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -80.62 -12.34 59.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.378 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -28.43 66.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 1.0 110.072 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.98 137.84 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.159 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -56.13 34.87 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.172 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 59.6 Cg_endo -75.84 113.8 3.8 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.133 1.889 . . . . 1.0 112.021 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.55 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.877 1.718 . . . . 1.0 112.022 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.53 130.2 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.854 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -127.84 113.84 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 1.0 110.91 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' ASP . 69.4 mt -114.84 135.9 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 62.9 m-20 -32.09 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.4 0.437 . . . . 1.0 111.09 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.91 -56.7 0.55 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -175.43 -179.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 1.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 6.7 t -68.19 142.67 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 mm -123.14 140.11 47.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 171.55 13.81 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.22 140.32 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.78 0.324 . . . . 1.0 110.415 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -140.88 163.24 33.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.746 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 8.1 m-85 -82.09 172.95 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.552 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -172.59 27.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.525 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.601 ' HG1' HE21 ' A' ' 59' ' ' GLN . 1.3 m -152.67 134.31 14.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.328 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -106.96 159.32 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' A' ' 90' ' ' ASP . 1.9 tt -131.82 144.66 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.49 146.13 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.393 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -128.37 147.61 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.7 t30 67.71 54.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -89.71 132.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.446 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 158.91 64.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.423 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.83 -7.31 20.54 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.485 2.124 . . . . 1.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 46.3 t60 -106.61 22.74 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.874 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -87.51 140.12 29.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.29 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.402 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -23.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.64 -44.46 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.679 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.5 m -69.47 -41.46 76.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.02 -28.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 mmt -70.74 -60.28 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -66.77 -24.38 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.004 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -33.75 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.064 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.7 mt -101.74 7.5 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.963 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -53.82 60.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.631 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.65 -5.8 16.36 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.069 1.846 . . . . 1.0 112.193 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -98.15 -27.9 13.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.12 -177.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.495 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 t -114.14 130.85 56.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.55 -175.11 2.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.57 129.23 18.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.571 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -48.85 -39.36 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.459 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.466 HD21 ' C ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -81.88 3.92 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.586 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.75 1.13 12.14 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.608 -0.269 . . . . 1.0 110.809 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -134.47 129.63 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -132.46 105.61 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -89.16 105.56 17.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.142 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.568 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.823 0.344 . . . . 1.0 111.378 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -89.01 36.77 0.82 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.56 30.86 42.97 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.567 -0.613 . . . . 1.0 111.567 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 70.0 m-85 -156.14 147.4 22.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.771 0.32 . . . . 1.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.73 143.6 22.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.24 136.42 45.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.736 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.48 123.0 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.601 HE21 ' HG1' ' A' ' 11' ' ' THR . 23.0 tt0 -114.99 152.77 31.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 1.0 109.94 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.38 165.95 11.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 p -63.24 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.302 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -122.63 -177.87 3.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.726 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.86 -47.86 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.98 -39.41 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.657 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.53 -29.34 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.3 -56.49 10.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -61.74 -35.97 79.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -55.86 29.23 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.773 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -25.58 67.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -80.38 -39.31 28.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.358 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.76 -25.2 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.1 mt -77.61 -38.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tp -80.59 -33.33 36.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.724 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 93.2 mt-30 -84.3 -12.19 55.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.596 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -27.84 65.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 1.0 109.944 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.18 138.46 47.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.097 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -57.12 19.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.294 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' PRO . 58.1 Cg_endo -74.34 114.52 4.05 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.053 1.835 . . . . 1.0 111.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.28 -175.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.957 1.771 . . . . 1.0 112.0 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -79.15 118.09 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.124 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -119.73 115.94 24.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.671 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' ASP . 78.1 mt -117.55 136.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.729 -0.668 . . . . 1.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' ILE . 16.3 m-20 -31.35 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.533 0.52 . . . . 1.0 110.942 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.11 -56.22 0.55 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -177.85 -177.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 1.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -68.64 142.51 55.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.909 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.2 138.66 51.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.57 169.61 13.0 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.251 -0.74 . . . . 1.0 111.251 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.9 140.21 49.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 1.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -135.63 166.96 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.476 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.64 172.77 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.513 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.71 0.29 . . . . 1.0 110.611 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.04 29.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.59 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 58' ' ' VAL . 1.2 t -152.59 161.84 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.497 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.09 169.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' OD2' ' A' ' 90' ' ' ASP . 1.5 tt -147.44 138.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.603 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.44 142.57 27.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.271 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -128.26 149.53 50.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.684 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.61 56.4 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.797 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.45 147.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.482 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.86 160.67 49.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.702 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.29 -0.29 9.45 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.776 2.317 . . . . 1.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 56.5 t-80 -99.82 15.82 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.218 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 m -87.71 129.41 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -129.01 142.35 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.502 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -41.84 -34.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -37.14 86.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.703 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' VAL . 22.4 m -73.8 -40.2 63.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.746 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.23 -51.27 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.71 -58.91 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -63.67 -33.87 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.289 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.63 70.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.139 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' ALA . 55.2 mt -102.88 7.31 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 1.0 110.974 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -54.21 55.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 111.681 0.252 . . . . 1.0 111.681 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -77.12 -6.17 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.14 1.894 . . . . 1.0 112.427 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -100.54 -26.3 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 171.36 138.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.487 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -85.88 74.61 10.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.09 129.51 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.8 t -51.26 -39.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -80.95 1.87 29.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.433 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.83 1.64 14.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.699 -0.228 . . . . 1.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -135.27 134.73 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.757 0.313 . . . . 1.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -124.85 113.88 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.89 101.03 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.07 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.012 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.362 . . . . 1.0 111.901 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -83.13 29.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 89.88 24.59 29.58 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 92.1 m-85 -158.15 145.56 18.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 1.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.68 144.45 23.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.629 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -106.93 142.24 36.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 11' ' ' THR . 1.9 p -142.47 138.7 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.761 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -128.65 152.33 48.5 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.302 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.82 167.53 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.068 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 62' ' ' SER . 87.4 p -58.46 -37.58 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.522 ' N ' ' HG ' ' A' ' 61' ' ' SER . 1.7 m -125.78 -178.02 4.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.647 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.17 -42.31 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.704 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -34.0 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.584 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.24 -35.9 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.55 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.533 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -65.35 -31.49 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -58.79 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.57 -27.3 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.42 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -35.23 45.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.144 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -82.65 -28.68 30.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.887 0.375 . . . . 1.0 110.322 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.57 -40.4 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.608 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.96 -32.65 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.21 -11.61 57.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.441 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -28.09 66.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 1.0 110.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -72.04 138.55 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.055 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -55.89 39.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.215 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.1 Cg_endo -77.48 114.3 3.69 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.192 1.928 . . . . 1.0 111.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.77 -175.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.916 1.744 . . . . 1.0 111.779 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.37 118.68 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.64 116.33 25.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.739 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.5 mt -115.86 136.17 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.475 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 82' ' ' ILE . 57.1 m-20 -33.49 104.06 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.383 0.427 . . . . 1.0 110.958 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.34 -56.49 0.54 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -174.06 -179.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.741 0.305 . . . . 1.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 t -70.64 142.57 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.636 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.47 134.2 64.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.675 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.79 173.21 14.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.42 -0.672 . . . . 1.0 111.42 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.38 139.54 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 1.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -144.13 158.08 43.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.498 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -74.33 173.06 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.522 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.687 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.23 -145.61 12.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 151.7 21.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 1.0 110.468 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.74 134.55 34.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -83.67 0.91 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 7' ' ' HIS . 5.3 p-80 -155.39 -160.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 6' ' ' HIS . 3.1 m-70 -137.34 145.31 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.512 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -156.69 21.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.662 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 8' ' ' HIS . 3.5 mtm 58.69 147.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.62 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 19.9 p-10 -174.01 33.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.689 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.68 143.35 22.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.3 164.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.464 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 tt -144.73 138.15 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.646 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -95.14 140.85 29.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.102 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -125.49 149.34 48.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.754 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 t30 62.23 59.17 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.69 146.84 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 157.41 80.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.665 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 74.4 Cg_endo -75.39 3.38 5.86 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.627 2.218 . . . . 1.0 112.333 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 58.8 t-80 -104.23 12.31 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.999 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -87.56 145.61 26.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.12 176.28 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.436 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -28.0 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.623 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -41.15 70.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.773 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -63.13 -57.31 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.75 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.89 -35.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.788 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -64.32 -58.88 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 m -68.61 -24.29 64.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 -34.39 66.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.314 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.0 mt -102.45 7.78 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.071 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.42 62.96 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.749 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.21 -4.79 14.61 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.127 1.884 . . . . 1.0 112.388 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -99.41 -27.02 13.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.975 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 175.75 -179.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 t -111.86 130.38 55.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.476 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.97 -179.19 3.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.412 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.96 128.94 17.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 t -48.62 -38.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.55 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.46 5.03 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.687 -0.233 . . . . 1.0 111.605 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -118.3 0.92 11.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.555 -0.293 . . . . 1.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 pt -132.33 133.1 60.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 1.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -122.15 96.92 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.79 100.74 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.234 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.02 144.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.39 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -120.64 149.09 43.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.482 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -108.9 152.49 24.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.719 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.37 -10.62 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.743 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -80.77 -57.75 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.687 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.49 17.74 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.509 HE21 ' CA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 45.93 28.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.377 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 46.2 mt-30 -156.35 164.63 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -34.88 143.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.279 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -87.18 28.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 91.0 29.78 12.23 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.489 -0.645 . . . . 1.0 111.489 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 94.3 m-85 -157.7 146.72 19.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.784 0.326 . . . . 1.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.99 139.83 18.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.471 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.97 140.93 40.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 4.3 p -142.94 128.67 16.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.79 152.21 29.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.107 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.46 165.97 11.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.182 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.188 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -127.98 -177.97 4.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.699 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.59 -48.87 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.65 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.1 mtt -57.21 -38.94 74.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.36 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.718 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.97 19.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.0 p -60.84 -37.93 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -55.36 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.756 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -26.56 67.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.233 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -36.94 32.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.31 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -82.68 -26.61 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.5 mt -76.9 -40.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.741 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tp -77.99 -33.04 51.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.956 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -84.36 -13.4 52.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -70.86 -26.04 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 1.0 110.115 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.6 137.57 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.802 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -55.93 36.14 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.254 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.8 Cg_endo -78.43 114.09 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.165 1.91 . . . . 1.0 112.052 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.38 -176.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.94 1.76 . . . . 1.0 111.725 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -84.48 120.28 26.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 123.07 18.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.959 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -126.54 153.28 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.51 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -34.51 103.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.928 0.394 . . . . 1.0 110.825 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.49 -62.7 0.44 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.56 -178.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.887 0.375 . . . . 1.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -71.11 143.23 50.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.73 133.8 67.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.694 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.49 174.01 15.44 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.293 -0.723 . . . . 1.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.7 t -133.17 140.26 47.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.723 0.297 . . . . 1.0 110.417 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.54 161.56 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.616 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -78.87 172.53 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.456 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 114.82 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.486 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -100.45 160.0 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 120.64 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.573 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.955 -1.021 . . . . 1.0 110.514 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.01 -104.07 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 144.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 1.0 110.549 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -163.45 71.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -145.57 96.71 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' HIS . 2.3 p80 -142.28 26.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.673 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -81.71 131.89 35.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -96.22 -3.77 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.84 143.0 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -174.8 31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -152.81 139.07 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.55 163.63 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 2.9 tt -147.31 126.79 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 1.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -83.45 144.74 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.292 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -126.29 149.35 49.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.485 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 62.15 60.53 1.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -102.38 156.94 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.15 159.9 50.05 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.579 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.55 2.73 6.58 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.596 2.198 . . . . 1.0 112.563 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 20.8 t-80 -106.97 21.13 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.086 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -87.79 139.07 30.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.817 0.341 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.15 142.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.361 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.66 -23.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 1.0 110.707 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -50.99 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.772 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -68.44 -40.87 80.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.811 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.65 -27.31 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.685 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -74.77 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.736 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -64.51 -24.06 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.077 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 -33.82 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.143 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -102.24 7.84 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -53.54 63.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.728 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -78.06 -4.47 14.4 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.124 1.883 . . . . 1.0 112.16 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -101.5 -28.47 12.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.84 -176.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.706 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.21 129.86 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.317 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.38 -177.35 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.514 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.19 129.98 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.402 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.87 -39.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.658 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -83.46 4.87 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.513 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 1.9 t-20 -118.33 0.05 11.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -126.44 141.62 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.734 0.302 . . . . 1.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -132.09 105.04 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.99 114.94 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.82 145.76 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.942 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.1 125.52 23.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 1.0 110.394 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -102.69 160.54 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.518 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -90.5 -1.41 57.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.647 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -86.02 -57.72 2.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.71 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.82 19.92 19.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.991 0.424 . . . . 1.0 110.413 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 8.7 mp0 42.05 29.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -157.72 165.36 35.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.534 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -37.24 142.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.462 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -89.41 32.88 0.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 90.86 31.56 9.9 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 74.8 m-85 -155.89 147.03 22.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.915 0.388 . . . . 1.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.23 130.05 17.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.476 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.73 135.24 43.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.67 138.95 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.955 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.513 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 15.5 tt0 -121.4 152.48 38.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.035 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.8 165.25 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.118 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -59.85 -37.72 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.046 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 m -124.79 -177.94 4.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.96 -48.82 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ttt -58.58 -42.06 87.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -49.54 -35.19 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.24 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.44 ' H ' ' HG ' ' A' ' 67' ' ' SER . 2.1 p -65.32 -37.95 88.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -53.97 51.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.786 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.99 -23.33 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.327 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -37.28 28.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.76 -28.38 30.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 1.0 110.385 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.29 -42.04 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.97 -32.54 57.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.97 -10.32 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 1.0 110.522 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -68.61 -29.89 68.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.03 0.443 . . . . 1.0 109.961 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.5 138.89 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.988 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -56.62 28.56 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.27 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 67.1 Cg_endo -76.65 114.25 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.083 1.856 . . . . 1.0 112.004 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.0 Cg_exo -48.37 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.75 1.633 . . . . 1.0 111.853 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.9 tp -79.3 122.13 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 1.0 109.951 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 121.04 34.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.588 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.0 mt -121.25 135.93 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.654 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.8 m-20 -33.01 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.417 0.448 . . . . 1.0 110.863 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.42 -58.13 0.53 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -172.19 -179.74 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 1.0 110.678 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 140.9 51.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.48 132.19 69.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.684 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.92 173.4 15.55 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.8 t -131.41 140.04 49.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.804 0.335 . . . . 1.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.11 159.9 42.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.561 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.73 172.98 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.25 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -101.35 -165.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.478 ' H ' ' HG ' ' A' ' 94' ' ' SER . 2.8 p -89.29 78.62 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.974 -1.012 . . . . 1.0 110.591 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.75 27.89 18.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -68.53 -79.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 1.0 110.542 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 6' ' ' HIS . 3.6 t60 45.86 90.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 2.0 m-70 -60.98 75.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.579 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' HIS . 2.1 m-70 -45.59 147.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.602 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.04 -7.51 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -68.76 158.04 35.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.66 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.596 ' SD ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -64.15 145.99 55.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.458 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -175.42 37.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.876 0.369 . . . . 1.0 110.767 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 139.15 18.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.447 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -106.91 158.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.216 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -138.32 144.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.944 0.402 . . . . 1.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.63 139.07 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.131 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.59 149.65 48.19 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.488 ' C ' ' HZ1' ' A' ' 85' ' ' LYS . 56.8 t30 63.65 57.3 1.44 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.976 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.15 156.57 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.311 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.74 159.86 37.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.735 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.98 2.45 6.6 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.734 2.29 . . . . 1.0 112.164 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 78.6 t60 -103.46 20.12 18.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.064 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 m -87.41 137.36 32.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.609 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.39 142.74 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -48.66 -21.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.18 -54.22 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -64.31 -48.99 73.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.735 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -53.07 -31.53 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.82 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 mmt -73.15 -58.54 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -24.24 65.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.086 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.87 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.322 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.52 7.86 42.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.072 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -53.21 63.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.812 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -78.16 -3.17 13.19 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.106 1.871 . . . . 1.0 112.172 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -100.53 -26.87 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.07 -179.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.427 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.15 133.69 53.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.46 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.71 176.25 5.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.532 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.13 129.89 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.592 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.5 t -48.39 -39.61 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.554 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.54 4.38 24.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.623 -0.262 . . . . 1.0 111.554 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.459 ' O ' ' NE2' ' A' ' 59' ' ' GLN . 2.4 t-20 -117.32 0.67 12.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.658 -0.246 . . . . 1.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 pt -131.26 134.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 120.739 0.305 . . . . 1.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -123.44 101.5 7.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.01 101.34 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.708 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 8.6 tt -59.9 107.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.576 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.67 137.45 34.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.6 163.68 13.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.75 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -90.38 1.35 56.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.548 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -77.01 -57.56 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.537 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.8 22.09 11.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.33 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 42.9 32.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.453 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -155.36 165.86 35.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.343 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.533 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.81 144.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.353 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -91.22 32.51 1.03 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.77 24.17 39.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.142 -0.783 . . . . 1.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 96.9 m-85 -158.8 145.58 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 1.0 110.653 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.47 140.63 22.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -107.28 134.34 50.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.13 126.1 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.512 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -112.24 152.4 28.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.133 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.08 165.62 11.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -58.57 -37.84 76.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.15 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -128.37 -178.0 4.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.592 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 -43.15 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.629 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -34.94 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.53 -35.27 77.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -52.87 62.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -62.57 -39.51 93.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -54.96 39.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.4 -24.8 67.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -39.55 27.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.268 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' O ' ' OG ' ' A' ' 75' ' ' SER . 6.8 tt0 -82.73 -27.1 31.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.885 0.374 . . . . 1.0 110.7 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.48 -38.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -80.85 -34.53 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.83 -10.79 59.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 1.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.1 m -70.44 -24.57 62.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.41 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.01 134.96 50.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -57.06 11.08 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.746 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -79.08 150.21 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.985 1.79 . . . . 1.0 111.455 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.96 166.75 29.19 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.065 1.843 . . . . 1.0 111.422 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.0 122.54 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.527 -0.469 . . . . 1.0 109.878 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -116.31 131.09 57.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.225 0.536 . . . . 1.0 110.806 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASP . 83.2 mt -135.26 133.9 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.396 -0.82 . . . . 1.0 108.871 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' ILE . 43.3 m-20 -34.38 103.88 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.322 0.389 . . . . 1.0 110.738 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.28 -48.94 0.71 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.027 -0.606 . . . . 1.0 111.793 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.488 ' HZ1' ' C ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER 177.39 -175.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.887 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.8 t -74.0 141.16 45.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.657 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.51 135.23 61.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.89 173.34 15.11 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.428 -0.669 . . . . 1.0 111.428 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.4 t -132.6 140.32 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 1.0 110.334 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.92 160.88 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.499 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.1 m-85 -78.38 173.0 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.335 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.13 118.61 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.575 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -150.86 122.98 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.73 104.9 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.528 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.46 77.72 0.05 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.42 153.36 18.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 1.0 110.551 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.569 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 2.9 p80 -144.19 -94.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.569 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 37.2 m80 -82.1 -170.6 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.14 -3.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 3.3 t60 -84.68 40.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -149.03 125.03 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 ttp -45.27 113.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -158.98 27.28 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.485 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.83 134.61 14.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pt -106.84 158.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.43 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.56 140.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.21 143.9 26.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.419 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -122.41 147.4 46.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.615 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t30 75.84 55.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.04 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 17' ' ' ILE . 18.7 mm -100.3 133.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 1.0 110.845 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.27 161.11 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.131 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 56.9 Cg_endo -72.45 -5.13 16.56 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.559 2.173 . . . . 1.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 19.5 t-80 -104.4 21.99 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.934 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.84 143.26 27.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.935 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.17 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 27' ' ' MET . 9.1 t -48.36 -24.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.555 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -34.34 62.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 m -73.84 -32.31 63.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -84.9 -24.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.456 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 9.8 mmm -70.47 -57.16 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.695 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -64.94 -24.64 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.927 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.37 65.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.962 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.2 mt -101.77 7.57 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -53.22 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.792 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.07 -5.56 15.24 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.186 1.924 . . . . 1.0 112.424 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -93.45 -26.98 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.69 -171.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.5 123.23 48.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.45 173.16 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.433 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.25 128.44 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -49.03 -38.75 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.493 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -82.37 4.98 21.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.583 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.9 0.83 12.0 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 6.1 pt -133.5 130.5 56.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.5 142.53 49.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.89 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.43 110.31 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.75 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.1 tt -60.15 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.773 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.45 123.42 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.5 160.39 16.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.484 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -87.16 8.78 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.668 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.03 1.9 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 1.0 110.541 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.0 19.76 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.139 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 2.9 pt20 -175.03 176.99 2.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.073 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -38.28 129.77 1.3 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 1.0 111.063 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -80.83 25.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.146 0.498 . . . . 1.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 92.11 26.33 19.21 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.297 -0.721 . . . . 1.0 111.297 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' GLY . 45.0 m-85 -153.4 146.26 24.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 1.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.68 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.96 132.02 46.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.765 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.69 152.66 28.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.152 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.08 166.22 10.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.194 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -37.04 82.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.197 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -127.49 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.36 -35.44 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -29.12 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -34.76 78.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.754 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.22 -53.33 59.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -56.04 20.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.768 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.12 -25.2 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.249 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.98 -38.01 37.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.47 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' OG ' ' A' ' 75' ' ' SER . 2.2 tt0 -82.58 -28.42 30.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.619 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -70.52 -42.79 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.7 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -76.21 -35.55 59.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.64 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.87 -8.78 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.305 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 m -74.31 -26.4 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.244 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.24 138.59 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.849 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -56.74 23.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.066 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 74.3 Cg_endo -77.51 114.1 3.65 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.09 1.86 . . . . 1.0 111.785 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.95 -178.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.802 1.668 . . . . 1.0 111.814 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 tp -81.27 121.06 25.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 121.71 37.36 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.778 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -122.31 133.74 67.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.512 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 81.5 m-20 -31.15 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.536 0.522 . . . . 1.0 111.0 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.83 -59.23 0.53 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -172.87 173.64 3.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 1.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t -63.47 142.57 58.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.58 131.72 71.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.69 163.85 12.11 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.338 -0.705 . . . . 1.0 111.338 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.85 139.71 42.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.55 166.39 25.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 1.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -87.14 173.08 9.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.437 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 85.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.488 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.53 96.65 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.7 p -105.57 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.602 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.79 -103.93 1.53 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.581 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 2.0 p-80 -151.65 123.45 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 1.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 3' ' ' HIS . 16.4 m170 59.01 147.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.44 151.37 20.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.674 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.91 -171.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.12 -0.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.49 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -96.97 -124.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.498 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.61 112.01 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.404 . . . . 1.0 110.552 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 6.7 p30 -175.08 26.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -153.15 135.08 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.385 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.82 156.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 tt -134.13 144.56 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.387 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.88 140.87 35.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.0 ttm180 -121.44 146.67 46.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.1 t30 80.04 52.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 mm -98.02 127.14 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.553 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 20' ' ' HIS . . . -66.78 154.84 91.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.11 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 57.5 Cg_endo -72.54 13.37 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.419 2.08 . . . . 1.0 111.986 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' ALA . 9.8 t60 -120.75 19.65 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.515 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.5 m -87.37 149.05 24.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.906 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 142.51 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.245 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.4 t -45.08 -28.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -54.47 14.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 1.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 m -50.82 -49.95 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.74 -44.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 32.9 mtp -58.79 -60.24 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.026 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -55.98 -25.63 44.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.154 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.03 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 mt -101.21 7.18 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.68 52.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.616 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -77.17 -5.38 15.72 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.185 1.923 . . . . 1.0 112.422 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -92.48 -29.97 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.47 -171.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p -106.74 119.32 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.369 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.54 172.12 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.49 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.11 128.44 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.47 -38.72 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.362 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.86 1.79 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.609 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -114.19 0.91 14.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.682 -0.236 . . . . 1.0 110.996 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -130.63 136.1 59.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 1.0 110.542 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -132.07 123.77 27.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 102.67 14.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.02 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 3.1 tt -60.13 96.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -82.77 145.09 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.853 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.31 158.72 18.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.837 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -90.96 -11.26 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.415 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.18 -58.16 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 21.04 17.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.966 0.412 . . . . 1.0 110.208 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 26.6 mp0 42.63 31.67 0.31 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.6 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 5.0 mt-30 -157.54 172.4 18.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.485 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -38.17 143.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.468 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -86.5 29.29 0.78 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.466 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 86.23 20.93 53.9 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 31.3 m-85 -151.58 147.51 26.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 1.0 110.702 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.88 135.64 33.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -103.09 133.59 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 1.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.91 125.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 1.2 mp0 -110.49 152.21 26.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.158 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.98 166.15 11.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.116 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.33 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.81 -178.74 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.34 -29.2 23.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptm -78.76 -20.13 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -10.58 59.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.731 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.17 -55.38 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -38.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -59.21 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.78 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -28.19 14.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.915 0.388 . . . . 1.0 110.379 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.44 -38.74 71.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.188 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -81.31 -47.49 13.25 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.02 -39.84 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.505 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 tp -81.23 -42.65 20.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.733 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.53 -11.99 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' GLN . 4.6 t -71.1 -27.11 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.485 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.28 137.04 44.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.168 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -52.94 -60.25 7.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' PRO . 48.1 Cg_endo -70.24 114.14 3.68 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.047 1.831 . . . . 1.0 111.879 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.7 Cg_exo -47.88 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.789 1.659 . . . . 1.0 111.949 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.3 tp -79.34 122.29 26.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.063 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HZ3' ' C ' ' A' ' 85' ' ' LYS . 30.5 tptt -116.89 131.86 56.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.762 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' ASP . 85.4 mt -135.57 134.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.901 -0.777 . . . . 1.0 108.901 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' ILE . 3.2 m-20 -34.26 103.97 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.287 0.367 . . . . 1.0 110.67 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.47 -49.51 0.74 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.923 -0.656 . . . . 1.0 111.892 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.494 ' C ' ' HZ3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER 178.86 -175.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.66 -0.416 . . . . 1.0 111.043 -179.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -74.05 142.89 45.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.89 138.82 50.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.979 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.4 171.66 13.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.5 t -125.41 138.11 55.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.673 0.273 . . . . 1.0 110.438 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.75 161.65 35.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.527 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -79.48 172.89 13.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.21 129.36 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -63.58 140.79 58.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -84.21 92.54 7.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.18 105.16 2.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 4' ' ' HIS . 7.0 p80 -85.92 -37.88 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 1.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t-80 -51.89 112.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.547 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -77.9 156.94 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.604 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' HIS . 7.2 t-80 56.91 109.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.422 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -136.53 -163.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.568 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.435 ' H ' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 47.39 98.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -162.07 140.09 8.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -169.55 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.625 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -151.53 128.05 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -106.87 129.52 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.302 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 tt -102.58 144.67 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.95 144.67 30.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -126.21 148.06 49.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.291 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.2 t30 73.86 53.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.127 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.27 117.51 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.258 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.91 162.49 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.533 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 47.0 Cg_endo -70.92 0.1 7.03 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.645 2.23 . . . . 1.0 112.136 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 81.9 t60 -108.47 21.91 16.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.825 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -87.17 135.34 33.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 145.14 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.23 -21.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.581 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -47.54 73.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.681 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -69.28 -42.02 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.703 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.61 -25.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.752 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.92 -59.66 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.755 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -67.46 -24.2 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.038 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.94 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.162 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.9 mt -102.03 7.53 41.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.106 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -53.41 61.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.56 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.13 -5.27 15.66 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.043 1.829 . . . . 1.0 112.155 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -99.75 -27.27 13.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.735 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.4 -177.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.657 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.78 131.43 56.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.94 -178.77 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.411 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.06 128.67 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 t -49.26 -38.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.343 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -81.75 3.62 25.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 1.0 111.54 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.52 1.6 12.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.636 -0.257 . . . . 1.0 110.925 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 pt -133.66 132.59 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.78 0.324 . . . . 1.0 110.436 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -132.36 104.36 6.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.469 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.77 105.22 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.96 136.06 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.602 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -109.29 152.26 25.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.828 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 1.7 ttpm? -90.69 -8.93 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -88.17 -57.81 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.0 13.56 26.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.372 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 22.8 mp0 41.03 31.75 0.15 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 30.7 mt-30 -157.48 166.8 32.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.573 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -33.49 139.04 0.06 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.828 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -85.29 28.81 0.7 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.45 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 80.01 22.14 64.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 62.4 m-85 -155.75 147.29 22.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.876 0.369 . . . . 1.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.74 143.35 31.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.544 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.53 131.56 54.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 126.51 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.86 152.35 26.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.175 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.65 165.88 11.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.199 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 t -60.95 -36.88 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.199 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -177.99 4.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.57 -48.4 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.689 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.86 -43.74 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.684 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.93 49.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.82 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.9 p -71.47 -31.89 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -53.84 21.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.669 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.45 -22.06 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.301 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.84 26.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.243 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -82.55 -30.29 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 1.0 110.183 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.86 -35.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 tp -82.74 -35.15 26.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.786 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.87 -11.89 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.433 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -67.24 -29.99 69.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 1.0 109.983 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.88 138.34 48.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.031 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -56.07 37.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.0 Cg_endo -76.47 114.27 3.84 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.026 1.817 . . . . 1.0 111.961 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.6 Cg_exo -47.91 -177.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.866 1.711 . . . . 1.0 111.96 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.75 123.15 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.026 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -123.75 116.29 22.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 1.0 110.946 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 83' ' ' ASP . 77.6 mt -116.2 136.08 54.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 1.0 109.342 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' ILE . 29.6 m-20 -33.36 104.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.385 0.428 . . . . 1.0 110.933 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.88 -56.83 0.53 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -174.5 178.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.0 110.69 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.74 141.37 56.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.17 136.65 56.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.59 171.25 13.63 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.117 -0.793 . . . . 1.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.17 140.14 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 1.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 152.82 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.532 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -72.26 172.92 9.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.79 75.86 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -62.94 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.6 p -56.03 95.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.974 -1.013 . . . . 1.0 110.571 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.2 15.8 0.06 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.48 ' O ' ' NE2' ' A' ' 5' ' ' HIS . 15.5 p-80 -88.89 -14.59 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 141.47 58.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.48 ' NE2' ' O ' ' A' ' 3' ' ' HIS . 41.6 m-70 -137.01 171.95 13.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 22.6 t-80 -154.18 59.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -102.81 -179.93 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -105.25 -57.45 2.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.5 ttt -79.47 113.08 17.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.69 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -168.54 41.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.597 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -152.81 145.09 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.8 164.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.348 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 tt -145.21 138.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 1.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.68 138.61 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -125.42 150.56 47.16 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 63.1 56.03 1.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.802 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -98.27 151.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.82 159.09 49.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.742 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 65.7 Cg_endo -74.71 4.73 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.552 2.168 . . . . 1.0 112.379 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 83.5 t60 -107.39 19.66 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.088 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -87.74 138.89 31.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.692 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -135.14 142.31 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.599 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -45.6 -22.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' VAL . 13.7 t70 -68.64 -43.14 76.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -72.71 -55.47 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.56 -26.13 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 mmt -76.31 -60.65 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -67.89 -24.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.036 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.41 67.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.249 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -100.56 7.2 44.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.966 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -54.14 56.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.6 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.1 -6.43 17.3 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.115 1.877 . . . . 1.0 112.112 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -96.57 -26.43 15.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.699 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.67 179.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.482 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.36 126.95 55.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.551 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.57 176.53 5.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.241 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.85 128.59 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -49.37 -39.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.318 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 2.17 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.538 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -115.19 1.91 13.96 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.629 -0.26 . . . . 1.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 pt -133.87 141.7 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 120.848 0.356 . . . . 1.0 110.659 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.52 98.36 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.82 100.02 12.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 tt -60.47 135.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.225 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 149.93 31.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -109.17 152.51 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -90.39 -4.09 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.689 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.47 -57.51 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 17.36 24.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.607 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.671 ' NE2' ' H ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER 42.03 32.81 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.41 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 45.2 mt-30 -156.63 167.01 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.348 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.18 140.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.528 -179.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -83.27 27.99 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.88 23.14 42.98 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.261 -0.736 . . . . 1.0 111.261 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 78.8 m-85 -157.56 146.96 20.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.319 . . . . 1.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.85 146.47 27.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.682 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -113.62 141.51 47.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.72 139.33 28.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.931 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -119.34 152.37 36.87 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.205 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.98 165.94 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.199 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -59.1 -37.63 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -136.9 -177.93 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.664 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.36 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.68 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -38.48 65.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.764 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -43.91 95.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.724 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -50.48 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 p -63.02 -35.3 79.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.87 6.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.732 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.06 -30.12 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.446 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -77.14 -35.35 56.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.69 -26.86 31.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 1.0 110.493 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.403 HD13 HG23 ' A' ' 72' ' ' ILE . 81.1 mt -75.41 -39.2 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.9 tp -79.16 -33.24 44.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.729 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 97.6 mt-30 -81.75 -13.53 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -26.17 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 1.0 109.94 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.24 137.52 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.054 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -55.56 43.05 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.9 Cg_endo -77.92 114.17 3.57 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.074 1.849 . . . . 1.0 111.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.3 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 121.829 1.686 . . . . 1.0 111.911 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -81.34 118.98 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.95 38.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.998 0.428 . . . . 1.0 110.741 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.9 mt -123.29 136.59 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.498 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.4 m-20 -31.08 104.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 111.007 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.17 -60.44 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.74 176.94 2.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.35 . . . . 1.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -63.6 140.33 58.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.749 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.44 134.1 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.568 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.52 173.42 15.02 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.361 -0.696 . . . . 1.0 111.361 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -132.09 139.91 49.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.374 . . . . 1.0 110.306 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.03 157.96 44.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -74.9 172.95 11.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.41 106.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 95' ' ' ALA . 9.9 mmtp -81.39 144.98 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.542 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.8 m -76.84 39.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.91 -131.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -140.49 -50.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 1.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -91.98 102.07 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -97.01 120.46 37.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.502 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -82.81 -11.1 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 55.27 100.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.589 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 10.61 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.661 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.2 ttp -154.92 112.34 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 9.1 p30 -167.28 23.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.703 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -153.01 136.77 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.273 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.85 159.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.406 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -132.84 144.55 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.41 143.34 30.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -123.88 148.7 46.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.493 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t30 72.21 60.58 0.13 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.024 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 20.3 mm -102.05 142.31 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.574 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.03 159.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.251 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.68 8.73 1.48 Allowed 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.637 2.224 . . . . 1.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -119.66 26.27 9.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.638 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 2.2 m -87.78 137.65 32.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.818 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.19 159.52 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.401 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.98 -24.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -27.59 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.758 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -75.06 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.676 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 mm -85.22 -24.21 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.7 mmt -71.52 -55.91 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -68.04 -24.7 65.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.092 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -36.41 60.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.47 7.71 40.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.7 0.286 . . . . 1.0 111.315 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -54.29 56.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.56 -0.291 . . . . 1.0 111.68 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.79 -5.23 15.79 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.135 1.89 . . . . 1.0 112.164 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -98.54 -28.62 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.788 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.93 -177.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.615 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.057 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.24 -174.68 2.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.65 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.69 129.13 17.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.418 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -48.72 -38.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.484 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.99 5.2 22.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.65 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.48 0.31 11.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.586 -0.279 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.83 127.69 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.77 128.28 36.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.723 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.5 140.67 29.3 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.3 tt -101.29 103.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -126.12 136.96 53.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.624 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 48' ' ' GLN . 4.7 t0 -110.1 164.2 12.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.424 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 8.0 ttpp -69.09 8.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -77.75 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.593 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 2.3 m -112.78 9.0 19.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.454 HE21 ' CA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 52.03 34.98 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.4 179.371 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -177.5 173.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.595 179.415 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -35.98 136.03 0.3 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.366 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.526 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 11.4 mtp85 -86.9 26.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.574 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 96.78 5.12 58.78 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.043 -0.598 . . . . 1.0 112.181 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -141.97 165.99 25.95 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.147 0.474 . . . . 1.0 110.845 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.79 146.43 22.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -105.77 133.03 51.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.482 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.03 122.76 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -110.35 152.26 26.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.035 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.79 165.43 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.7 m -61.81 -36.91 82.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.163 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m -115.24 175.51 5.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.523 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.85 21.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -76.44 -42.2 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.37 -23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.14 -60.05 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 p -61.33 -34.08 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.44 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -55.21 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.789 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -22.01 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.588 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.21 -36.55 39.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -82.32 -28.42 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.3 mt -71.0 -36.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.26 -33.79 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.657 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.81 -11.51 59.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -70.47 -28.49 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 1.0 110.113 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.08 138.14 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.981 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -59.71 -53.88 61.26 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.304 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 75.2 Cg_endo -79.28 113.9 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.077 1.851 . . . . 1.0 111.856 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.17 -177.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 121.826 1.684 . . . . 1.0 111.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 tp -78.76 122.64 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.835 -0.431 . . . . 1.0 109.835 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.63 116.16 24.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.758 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' ASP . 91.1 mt -115.87 135.81 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.463 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 74.0 m-20 -32.72 104.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.392 0.432 . . . . 1.0 111.104 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.57 -56.7 0.55 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -173.9 177.88 2.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 1.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -68.57 142.55 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -119.18 134.46 62.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.97 161.83 12.63 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -114.99 141.98 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.682 0.277 . . . . 1.0 110.5 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.57 160.77 39.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.94 172.88 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.56 137.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' ALA . 61.6 mttm 49.72 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 p -59.4 79.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.967 -1.016 . . . . 1.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.37 62.21 0.27 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -68.1 -166.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.645 0.26 . . . . 1.0 110.577 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.554 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -123.31 -100.67 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.477 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.554 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 22.9 m170 47.5 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CG ' ' C ' ' A' ' 5' ' ' HIS . 37.6 m80 -150.87 175.12 12.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -164.78 43.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 18.8 m80 54.21 176.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.596 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 58.74 147.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.617 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -173.79 27.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.614 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.75 144.45 23.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.444 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.61 165.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.3 tt -148.28 127.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.503 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -86.32 150.64 24.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.775 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -131.72 149.78 52.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.348 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.6 t30 71.0 56.72 0.21 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 17' ' ' ILE . 16.7 mm -99.02 126.44 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 20' ' ' HIS . . . -61.51 122.63 72.15 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.201 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 75.2 Cg_exo -44.85 -10.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.958 1.772 . . . . 1.0 112.624 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 18' ' ' ALA . 53.6 t-80 -96.51 16.92 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 111.291 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -87.43 152.42 22.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.351 . . . . 1.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.33 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.394 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.06 -24.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.616 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -46.85 82.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.688 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 m -72.22 -59.36 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.89 -27.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.7 mmm -77.33 -58.5 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.793 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -59.16 -24.27 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.932 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -32.08 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.24 7.43 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.948 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -52.55 60.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.694 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.06 -3.08 13.14 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.176 1.918 . . . . 1.0 112.382 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -96.92 -28.09 14.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.9 -170.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.48 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -108.63 119.4 39.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.235 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.42 164.37 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.529 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.23 130.99 19.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.544 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 t -48.46 -40.34 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.402 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -81.58 2.64 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.591 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -115.82 2.01 13.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.624 -0.262 . . . . 1.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.4 pt -131.23 137.3 55.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.657 0.265 . . . . 1.0 110.378 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.0 117.2 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.44 106.9 18.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.84 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 tt -60.06 100.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.525 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.82 120.85 42.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.73 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.6 164.36 12.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.432 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 9.03 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -83.81 -57.65 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.498 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -102.75 2.68 35.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 61.38 18.84 9.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 1.0 111.196 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 49' ' ' THR . 1.2 pt20 -172.65 179.82 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.323 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.2 p30 -37.69 131.89 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 26.6 mtp180 -83.0 26.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.542 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 96.56 4.75 59.21 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 121.071 -0.585 . . . . 1.0 111.696 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -136.33 167.46 21.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 1.0 110.603 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -154.94 133.93 12.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.25 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.54 135.89 41.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p -142.61 135.06 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.76 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.49 148.24 42.81 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.38 165.88 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.081 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.2 t -63.99 -36.0 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.245 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -123.41 -177.81 3.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.757 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.87 -48.87 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.881 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.17 -40.05 88.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.902 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.95 -40.69 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -56.78 17.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -60.89 -39.92 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -55.24 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.17 -25.11 65.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 1.0 110.166 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -80.23 -37.11 33.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.22 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.74 -27.33 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.405 HD12 HG21 ' A' ' 72' ' ' ILE . 17.9 mt -73.64 -42.0 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.871 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 tp -76.92 -32.08 57.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.551 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.4 mt-30 -85.05 -10.55 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.97 65.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 1.0 109.955 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.72 137.74 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.993 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -56.49 29.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.044 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.9 Cg_endo -76.39 114.49 3.89 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.087 1.858 . . . . 1.0 111.883 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 78' ' ' PRO . 53.1 Cg_exo -47.81 -177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.83 1.687 . . . . 1.0 111.828 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.72 120.93 24.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.664 -0.414 . . . . 1.0 109.933 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -122.26 117.42 26.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.853 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.5 mt -118.6 135.43 59.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.447 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 10.2 m-20 -31.7 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.473 0.483 . . . . 1.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.1 -57.46 0.52 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.08 -177.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 1.0 110.604 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -71.79 139.27 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -116.51 133.62 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.575 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.47 174.15 15.54 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.66 -0.576 . . . . 1.0 111.66 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.7 t -132.28 140.15 48.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.359 . . . . 1.0 110.471 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.02 157.87 44.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.626 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -76.94 172.93 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 93' ' ' LYS . . . -64.55 114.41 4.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 92' ' ' ALA . 2.2 tptp 60.35 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.552 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.9 m -138.88 80.93 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.92 -1.038 . . . . 1.0 110.659 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . 155.31 -68.46 0.29 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 44.91 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 1.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 2' ' ' GLY . 3.8 m80 -140.78 144.01 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.535 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.15 81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 4' ' ' HIS . 88.1 m-70 -48.13 169.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.502 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' ND1' ' C ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -138.78 21.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.654 ' CG ' ' H ' ' A' ' 9' ' ' MET . 34.5 t60 -98.3 -169.6 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.654 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 18.6 ttp -85.04 112.86 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -168.81 30.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -152.76 138.87 18.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.245 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -106.78 158.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.229 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.415 ' CD1' ' CZ ' ' A' ' 57' ' ' PHE . 6.9 tt -135.5 138.53 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.601 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.3 133.52 43.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.172 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -121.34 153.21 38.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.843 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.01 56.34 3.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.4 153.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.617 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.74 160.26 53.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.73 -0.72 10.2 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.681 2.254 . . . . 1.0 112.433 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.74 20.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.135 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -88.03 138.4 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.727 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.1 142.45 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.462 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -52.76 -23.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.87 -46.5 84.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -70.46 -47.43 60.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.599 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.36 -27.81 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mmt -74.52 -58.26 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -66.54 -24.19 66.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.38 -32.99 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.258 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -103.5 8.12 37.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -52.76 65.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.464 -0.335 . . . . 1.0 111.764 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.75 -3.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.147 1.898 . . . . 1.0 112.396 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -103.61 -27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.961 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.14 -178.1 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.654 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.81 127.55 53.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.56 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.01 129.54 17.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.464 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.29 -39.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 1.0 111.464 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -81.84 -0.54 43.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.687 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -112.25 0.71 15.85 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.66 -0.246 . . . . 1.0 111.178 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 pt -123.51 138.51 53.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 1.0 110.643 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -132.01 114.61 14.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 100.64 11.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.054 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 5.9 tt -62.16 102.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.239 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -90.24 146.85 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.531 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.76 157.33 19.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.647 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' CD ' ' N ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -90.7 -11.27 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.668 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -72.73 -57.78 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.48 17.2 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.529 HE21 ' CA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 46.47 28.58 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.098 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -155.88 166.23 34.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.08 140.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -86.58 36.06 0.69 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 37.39 14.73 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.41 159.56 33.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 1.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.86 152.5 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.568 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 3.1 m-85 -124.62 129.74 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.345 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.62 139.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.688 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -124.0 152.5 42.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.125 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.75 164.87 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.07 86.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.102 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -118.62 176.18 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -29.21 23.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.753 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mtm -75.53 -45.78 36.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -34.35 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.572 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -58.24 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.546 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -60.25 -38.93 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.306 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.8 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.2 -28.56 62.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.338 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -38.1 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.585 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.72 -30.38 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 mt -68.91 -42.38 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.16 -35.52 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.672 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -81.65 -7.76 59.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.409 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.89 -26.33 61.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.463 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.23 136.61 56.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.47 -57.6 10.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.57 -0.452 . . . . 1.0 110.594 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.42 148.62 23.74 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.922 1.748 . . . . 1.0 111.407 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.64 165.56 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.022 1.815 . . . . 1.0 111.485 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' ILE . 61.4 tp -61.51 115.86 4.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.6 tmtt? -114.36 115.77 27.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.018 0.437 . . . . 1.0 111.242 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' ASP . 86.5 mt -116.88 136.43 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.523 -0.762 . . . . 1.0 109.158 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ILE . 1.3 m-20 -33.06 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.423 . . . . 1.0 110.799 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.62 -54.84 0.56 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -177.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -70.3 142.51 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 80' ' ' LEU . 3.6 mm -123.22 136.92 58.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.48 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.1 161.33 13.49 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.291 -0.724 . . . . 1.0 111.291 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.72 137.91 54.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.693 0.282 . . . . 1.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.19 162.83 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 21.0 m-85 -74.93 172.78 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.55 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.18 117.32 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -101.36 -57.71 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 m 53.58 82.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.604 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.7 101.07 1.59 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 80.19 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.5 m80 52.27 -126.56 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.506 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -178.15 -42.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.543 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 14.6 p80 -78.85 46.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -87.02 -25.5 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.503 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 9' ' ' MET . 12.8 p80 -74.33 -35.19 63.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.437 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 26.4 ttp -102.81 113.14 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.477 ' C ' ' HG1' ' A' ' 11' ' ' THR . 42.3 p-10 -165.49 30.36 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 ' HG1' ' C ' ' A' ' 10' ' ' ASP . 67.4 m -152.79 138.1 17.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.8 mm -106.98 160.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.342 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.45 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.1 tt -142.42 122.64 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.04 146.2 35.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.568 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -125.71 148.49 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.9 t30 70.51 59.49 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.358 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 17' ' ' ILE . 34.6 mm -98.05 136.93 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.355 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.89 159.52 85.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.4 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.07 0.2 7.59 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.587 2.192 . . . . 1.0 112.171 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -115.33 29.57 7.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.677 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -87.45 140.11 29.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.97 142.3 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -21.49 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.9 -60.73 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -63.85 -57.17 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -45.04 -31.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.701 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.3 mmm -78.1 -58.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 1.0 110.739 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -61.07 -24.34 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.984 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.83 -32.71 65.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.956 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.17 7.56 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -52.7 61.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.66 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.1 -2.73 12.81 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.159 1.906 . . . . 1.0 112.359 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.47 -27.07 14.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.49 -170.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 1.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.21 123.66 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.34 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.48 171.35 7.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.602 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.09 128.24 16.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.339 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -49.54 -39.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.37 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.3 1.63 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.578 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -114.28 1.65 14.54 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -135.17 127.55 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 1.0 110.517 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -132.74 130.09 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.698 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -93.31 137.68 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.434 . . . . 1.0 109.927 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER -84.72 96.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.437 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 119.83 39.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.639 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.77 164.35 12.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.537 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.16 8.92 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.399 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.57 HE22 ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -77.88 -57.49 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.681 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -111.74 12.05 21.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.41 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' NE2' ' N ' ' A' ' 50' ' ' GLN . 3.8 mp0 54.14 31.56 14.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.153 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -178.35 173.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.366 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -39.64 134.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.953 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' NH1' HE22 ' A' ' 48' ' ' GLN . 12.5 mtp180 -86.45 24.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 1.0 110.75 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 91.61 29.79 11.55 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.401 -0.679 . . . . 1.0 111.401 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 58.7 m-85 -156.77 147.0 21.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 1.0 111.064 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.11 139.65 30.52 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.34 136.02 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.18 134.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.441 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -120.81 152.78 37.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.98 165.39 11.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.041 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -37.7 82.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.149 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 -177.92 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.513 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.51 -49.35 11.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.764 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttp -58.52 -39.58 80.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.723 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.81 -29.06 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.48 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.567 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.26 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.475 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.59 -58.36 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.716 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.74 -26.59 24.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.319 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.4 -37.95 56.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.5 tt0 -82.68 -26.86 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.793 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.2 mt -72.1 -40.7 67.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -78.83 -35.56 43.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -81.67 -9.01 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.153 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -73.73 -24.62 59.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.542 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.58 135.29 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -56.91 14.13 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.795 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.68 140.63 21.21 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.849 1.699 . . . . 1.0 111.702 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.37 166.07 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.028 1.818 . . . . 1.0 111.613 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.43 126.83 28.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.692 -0.484 . . . . 1.0 109.692 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 81' ' ' LYS . 1.6 tptt -137.9 122.93 19.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.139 0.495 . . . . 1.0 111.005 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -127.39 148.89 32.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.367 -0.975 . . . . 1.0 108.367 178.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.9 m-20 -35.33 102.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.807 0.337 . . . . 1.0 110.672 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.34 -57.88 0.45 Allowed Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.793 -0.717 . . . . 1.0 111.898 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.06 -174.77 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.784 -0.366 . . . . 1.0 111.064 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -73.98 142.5 45.83 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.2 mm -123.89 135.52 63.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.109 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.17 167.39 12.62 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.304 -0.719 . . . . 1.0 111.304 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.78 138.2 52.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.708 0.29 . . . . 1.0 110.429 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.69 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -75.17 169.13 18.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.86 157.2 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.631 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -66.13 -67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.72 94.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.593 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.38 23.37 71.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -156.79 94.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 1.0 110.561 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.34 160.36 2.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -72.12 159.09 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.528 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.3 OUTLIER 41.76 -163.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.522 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 135.56 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -136.96 -77.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.1 ttm -155.47 112.18 3.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.588 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -175.76 36.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.46 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m -152.77 142.16 21.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.478 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.7 140.32 27.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 57' ' ' PHE . 3.6 mm -115.87 112.06 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.345 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.16 138.2 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.1 ttm180 -123.06 146.59 47.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.468 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 41.1 t30 77.33 52.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.193 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 HG21 HD12 ' A' ' 17' ' ' ILE . 29.5 mm -95.59 134.77 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.0 110.387 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.72 158.84 86.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.261 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.29 7.11 2.3 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.47 2.113 . . . . 1.0 112.206 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 69.2 t60 -123.45 29.74 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -87.36 145.63 26.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.806 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.08 142.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.336 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.1 t -52.09 -23.6 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.646 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -35.59 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -74.48 -33.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.06 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -85.02 -24.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 23' ' ' VAL . 12.0 mmm -73.89 -57.13 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.668 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.0 m -64.57 -24.45 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.67 -32.42 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -100.24 7.29 44.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.915 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -52.64 61.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.66 -3.48 13.62 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.061 1.841 . . . . 1.0 112.309 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -94.78 -28.81 15.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.691 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.56 -169.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.63 123.21 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.51 172.66 6.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.429 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.0 127.99 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.319 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.3 t -49.37 -39.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.41 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.87 2.48 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.541 -0.299 . . . . 1.0 111.393 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -114.43 1.51 14.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.722 -0.217 . . . . 1.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.442 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.8 pt -134.99 128.65 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.274 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.92 137.11 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.86 138.64 37.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.888 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -88.92 96.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.43 141.13 28.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.49 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 47' ' ' LYS . 5.0 t0 -109.96 163.72 13.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.702 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -90.83 6.08 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.522 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -57.77 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.704 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.42 15.36 24.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.281 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 27.4 mp0 41.09 33.22 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.529 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -157.4 164.22 37.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.134 0.492 . . . . 1.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -38.76 140.12 0.38 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.055 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -90.74 34.28 0.91 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 81.55 25.32 54.23 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.278 -0.729 . . . . 1.0 111.278 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 81.9 m-85 -155.65 146.85 22.57 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.004 0.43 . . . . 1.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.66 131.32 22.6 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.374 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 13' ' ' ILE . 11.0 m-85 -98.03 137.04 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.48 128.04 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -113.42 151.62 31.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.271 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.58 166.51 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.222 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.116 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -129.86 -177.97 4.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.14 -48.94 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.667 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 ttt -54.65 -39.38 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.48 -29.97 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.576 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 -52.8 16.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.539 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 p -61.7 -36.14 80.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -59.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -29.83 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -36.97 61.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -82.68 -28.61 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 1.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.36 -37.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.736 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -80.06 -31.76 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.752 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.14 -12.3 57.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.486 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -69.92 -27.05 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 1.0 110.275 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.5 mt -73.25 137.09 44.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.067 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -56.12 31.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.257 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.8 114.11 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.176 1.917 . . . . 1.0 112.059 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.1 Cg_exo -48.75 -176.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.777 1.651 . . . . 1.0 111.892 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.14 122.46 24.34 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -119.38 122.14 41.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.866 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -125.59 131.55 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.025 -0.731 . . . . 1.0 109.025 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 65.5 m-20 -33.66 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.341 0.401 . . . . 1.0 110.858 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -45.18 0.86 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.943 -0.646 . . . . 1.0 111.626 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 pttt 175.34 -175.9 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.796 0.298 . . . . 1.0 110.876 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.37 141.43 43.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.75 137.39 54.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.962 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.7 172.41 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 t -127.7 141.35 46.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 1.0 110.362 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.75 157.11 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.64 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.3 m-85 -76.92 173.08 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.387 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.91 68.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.492 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.9 p -107.46 59.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.621 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 3' ' ' HIS . . . -162.14 -46.15 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.405 ' CG ' ' C ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -152.96 111.03 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.356 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -170.89 166.96 7.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.526 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 151.52 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.65 114.7 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.523 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 7' ' ' HIS . 19.1 t-160 -84.74 -18.83 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.639 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -86.96 161.66 18.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.77 146.11 32.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.28 23.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.95 133.86 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 pt -106.75 143.4 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.408 ' CD1' ' CZ ' ' A' ' 57' ' ' PHE . 4.5 tt -116.68 143.96 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.558 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.98 151.74 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.424 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -133.83 149.42 51.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.406 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.2 t30 66.01 59.91 0.68 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -102.49 120.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 160.22 37.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.35 2.92 5.15 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.555 2.17 . . . . 1.0 112.257 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.513 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 1.7 t60 -107.51 14.26 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.005 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -87.33 139.16 30.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 151.54 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.449 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.76 -24.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -45.35 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -71.87 -42.31 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.549 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.4 -24.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.57 -57.85 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.662 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -69.19 -24.27 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.54 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.17 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.7 mt -101.3 7.48 42.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.041 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.92 58.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.635 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.74 -4.63 15.18 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.002 1.801 . . . . 1.0 112.215 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -99.84 -26.81 13.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.94 -179.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.62 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -113.08 128.58 56.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.33 -176.16 2.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.347 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.86 129.63 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -48.39 -39.79 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.507 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -82.13 1.98 33.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.652 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -115.56 1.09 13.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.647 -0.251 . . . . 1.0 110.998 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 pt -127.52 135.0 64.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.89 0.376 . . . . 1.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 110.92 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 tt -73.08 97.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -126.13 142.84 51.36 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -108.52 164.17 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.452 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -63.24 2.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.774 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.502 ' H ' ' C ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -69.13 -57.58 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.628 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.36 19.06 6.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 50' ' ' GLN . 1.8 mp0 40.93 33.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.414 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -152.57 166.36 32.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.05 140.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.338 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.31 45.8 1.01 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.975 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.7 13.42 82.43 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.03 157.27 40.26 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.989 0.423 . . . . 1.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.16 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 2.2 m-85 -125.78 129.73 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.72 128.74 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.555 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -116.85 152.58 34.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.71 165.91 11.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.049 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.0 p -66.77 -35.3 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.289 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -114.66 173.86 6.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.646 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.99 21.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.671 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -23.09 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.662 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.91 -14.44 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.85 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 p -58.88 -36.34 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.382 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -56.42 22.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -25.75 67.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.291 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -39.06 31.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.57 -26.82 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 1.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.2 -41.35 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 tp -77.69 -33.0 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.733 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.19 -10.82 57.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -69.81 -29.13 66.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 1.0 109.965 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.36 140.11 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.005 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -57.3 25.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.106 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.8 Cg_endo -75.96 114.36 3.91 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.156 1.904 . . . . 1.0 111.975 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.8 Cg_exo -48.11 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.811 1.674 . . . . 1.0 112.029 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.16 124.93 29.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.35 120.85 33.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.748 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -120.91 133.69 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.334 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' ILE . 28.0 m-20 -31.39 104.03 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.443 0.465 . . . . 1.0 111.135 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -57.61 0.53 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.86 179.46 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.724 0.297 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 140.95 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.47 137.69 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.624 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.02 171.02 14.05 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.265 -0.734 . . . . 1.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.0 t -130.27 140.15 49.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 1.0 110.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.43 158.73 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.1 163.2 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.448 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.93 108.5 18.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -100.62 -173.13 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.11 31.76 20.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.98 119.16 2.99 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' HIS . 78.6 m-70 -145.0 -127.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 1.0 110.639 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 54.38 107.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.563 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -80.76 166.19 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.62 177.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.47 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 12.2 m80 53.02 96.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.514 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttp 55.66 111.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.09 26.82 0.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.391 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -152.66 145.48 24.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.157 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.88 168.16 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.545 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.26 136.89 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.362 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.21 146.89 24.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -127.81 147.96 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.164 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t30 73.09 54.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.183 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.424 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 35.9 mm -95.47 140.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.286 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.68 162.94 68.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 58.7 Cg_endo -73.43 1.38 6.86 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.812 2.342 . . . . 1.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.8 t-80 -116.0 29.76 7.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.913 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 1.8 m -87.39 139.2 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.18 158.71 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.44 -22.37 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -68.71 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.706 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 m -65.86 -52.44 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.68 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.6 -24.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mmt -77.45 -57.99 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.5 m -67.06 -24.17 65.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.955 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.1 -34.78 64.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.248 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -102.08 7.49 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.97 57.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.501 -0.318 . . . . 1.0 111.576 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.98 -5.13 15.63 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.131 1.887 . . . . 1.0 112.225 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -101.25 -27.22 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.68 -179.25 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.507 ' H ' ' HG ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -115.85 129.74 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.379 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.75 -175.59 2.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.484 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.84 128.82 17.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.365 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.23 -39.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.392 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.48 4.37 21.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.464 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -117.65 1.4 12.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.21 129.69 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -132.71 129.65 39.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.4 137.22 32.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 7.4 tp -83.51 96.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.2 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.12 119.56 39.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.966 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.95 157.1 19.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.426 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.4 ttmm -79.36 8.49 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.559 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -57.51 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.53 2.92 36.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.283 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.74 20.15 8.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.148 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 4.2 pt20 -172.63 171.48 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.217 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.91 130.59 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -84.05 27.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.901 0.382 . . . . 1.0 110.593 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 87.52 31.68 15.46 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 73.7 m-85 -158.74 147.63 18.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 1.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.14 146.77 28.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.468 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.52 139.08 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 3.8 p -142.54 129.05 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -117.75 151.98 36.2 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.069 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.83 165.36 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.075 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -64.34 -36.18 83.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -117.32 172.76 7.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.674 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.33 -31.1 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -22.73 48.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -27.95 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.34 -58.93 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -58.52 -37.85 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -57.76 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -28.41 63.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -35.4 55.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.75 -28.74 30.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.8 mt -74.81 -38.31 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.808 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.4 -31.46 37.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.789 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -83.58 -12.9 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.508 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -26.12 64.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.854 0.359 . . . . 1.0 110.295 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.35 139.87 46.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.592 . . . . 1.0 109.843 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.649 ' CD2' ' H ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -60.86 -53.04 67.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 120.891 -0.323 . . . . 1.0 111.274 -179.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 73.0 Cg_endo -77.54 113.67 3.56 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.958 1.772 . . . . 1.0 111.658 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.9 Cg_exo -49.07 -176.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.743 1.629 . . . . 1.0 111.951 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.49 120.95 25.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.911 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -121.28 116.59 25.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.83 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -116.61 135.81 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.489 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 5.7 m-20 -33.14 104.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.425 0.453 . . . . 1.0 111.002 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.64 -56.74 0.54 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -173.91 -178.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.811 0.339 . . . . 1.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.25 141.02 50.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.06 135.2 60.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.75 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.25 172.66 14.43 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 t -128.51 140.47 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.63 151.31 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.505 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 9.0 m-85 -71.37 172.83 8.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 115.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -146.72 164.96 31.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.556 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 95' ' ' ALA . 43.7 t -143.65 27.99 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.654 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.31 177.0 30.0 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 71.56 20.74 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 1.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -172.12 45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -100.7 -178.53 3.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.675 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -151.49 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.532 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -171.67 73.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.529 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.82 -17.53 20.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm -143.76 115.72 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -164.3 26.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.602 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -152.74 137.82 17.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.22 159.75 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.27 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.65 141.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.087 0.47 . . . . 1.0 110.627 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -96.75 153.55 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.189 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.22 146.64 50.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.455 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.3 t30 60.84 68.9 0.71 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.819 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 3.6 mm -98.2 146.54 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.255 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 160.9 73.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.843 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 60.8 Cg_endo -74.51 -10.15 21.89 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.733 2.289 . . . . 1.0 112.461 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 2.3 t-80 -104.54 23.52 13.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.83 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 91.1 m -87.25 131.4 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.13 -177.42 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.337 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.33 -25.21 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.63 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.45 -56.46 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -48.24 80.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.715 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -50.4 -38.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -69.67 -57.88 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.423 . . . . 1.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.318 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.38 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.732 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.6 mt -103.41 8.07 38.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 1.0 111.357 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.7 61.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.45 -3.83 13.68 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.2 1.933 . . . . 1.0 112.371 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -99.8 -27.63 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.068 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 174.19 -179.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 1.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.81 130.91 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.432 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -113.18 -175.18 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.467 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.62 128.66 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -48.82 -39.07 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -82.12 4.15 24.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.58 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.72 1.89 11.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.571 -0.286 . . . . 1.0 110.958 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 130.84 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.838 0.351 . . . . 1.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.6 115.15 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -91.2 111.25 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 143.87 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.514 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.41 150.47 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.322 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -109.24 151.82 26.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.944 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -90.55 -8.12 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.722 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -86.23 -57.6 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.587 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.75 17.98 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.368 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 1.2 mp0 41.7 30.04 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.983 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 28.9 mt-30 -157.38 164.29 37.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.249 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.73 142.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.388 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -94.49 33.8 1.38 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.17 44.82 9.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 82.9 m-85 -162.05 146.72 12.66 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.676 0.274 . . . . 1.0 110.767 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.9 138.06 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.649 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -107.37 133.07 52.44 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.69 124.12 19.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.551 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -110.2 152.6 25.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.123 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.59 165.24 11.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.959 -0.386 . . . . 1.0 109.959 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -65.05 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.314 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 165.88 11.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.27 -22.15 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -93.47 -1.48 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -7.64 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 1.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.41 -55.98 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.1 p -61.64 -33.93 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.475 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -57.36 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.673 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -26.53 65.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -36.91 57.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.42 -33.56 28.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.414 ' O ' ' OG ' ' A' ' 75' ' ' SER . 18.6 mt -65.42 -40.76 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.576 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.83 -34.8 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.472 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -77.84 -9.74 59.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.57 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 72' ' ' ILE . 88.6 p -67.47 -30.05 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 1.0 110.034 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.94 135.55 53.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.601 . . . . 1.0 109.637 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.58 -51.63 65.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.763 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' PRO . 87.2 Cg_endo -84.56 113.1 1.64 Allowed 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.32 2.013 . . . . 1.0 111.515 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.8 Cg_exo -47.83 -178.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.846 1.697 . . . . 1.0 111.757 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.63 116.98 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.102 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 2.0 tmtt? -108.69 104.89 14.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.832 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 83' ' ' ASP . 96.4 mt -104.22 136.96 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.539 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 82' ' ' ILE . 2.0 m-20 -30.31 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.524 0.515 . . . . 1.0 111.228 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.59 -61.38 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.78 178.45 4.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.868 0.366 . . . . 1.0 110.883 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t -72.84 142.86 47.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -110.42 133.9 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.375 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.42 164.12 12.35 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.397 -0.681 . . . . 1.0 111.397 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.29 138.1 49.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.741 0.305 . . . . 1.0 110.458 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.63 159.97 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.68 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.29 173.0 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.52 -179.33 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.9 tptm 60.51 59.18 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -144.07 33.02 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.653 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.478 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.65 142.51 4.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -92.99 -166.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 1.0 110.582 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -137.97 109.26 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.29 112.81 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.466 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.91 31.15 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -164.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -96.43 123.41 40.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.519 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 58.83 146.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.617 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.4 t0 -172.68 32.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 m -152.8 127.85 9.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.71 134.46 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.418 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.8 mt -111.21 132.26 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.25 143.28 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.6 ttm180 -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.5 t30 79.18 53.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.906 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.8 130.36 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.789 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 159.42 85.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.133 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.06 1.6 5.77 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.54 2.16 . . . . 1.0 112.196 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -110.54 23.17 14.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -87.51 141.38 28.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.3 40.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.348 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.4 t -53.79 -22.33 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.62 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.47 -52.39 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.759 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -68.71 -58.4 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.86 -27.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.639 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 9.2 mmm -77.0 -58.25 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -62.51 -24.36 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.41 -32.18 66.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.949 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.57 7.47 42.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.108 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -53.27 57.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.647 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.55 -3.44 13.62 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.177 1.918 . . . . 1.0 112.338 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -96.69 -26.98 14.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.22 -170.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.03 123.88 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.304 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.06 171.4 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.661 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.96 128.79 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.44 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.09 -38.99 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.421 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.16 4.69 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.476 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.55 1.95 11.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.6 pt -134.2 130.62 54.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.916 0.388 . . . . 1.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.56 133.35 43.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.693 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 102.08 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.991 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 44' ' ' ILE . 1.5 tt -60.15 96.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.199 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -86.04 152.33 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.794 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 47' ' ' LYS . 41.0 t0 -109.62 157.28 19.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.76 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 2.1 tppt? -90.64 -4.14 57.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.486 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.516 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -94.22 -57.54 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.754 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.516 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -92.37 9.95 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 2.7 mp0 43.9 25.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.327 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 49' ' ' THR . 1.1 mp0 -155.91 167.37 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -35.82 141.39 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.311 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.78 28.37 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.437 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 84.67 24.12 47.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CG ' ' C ' ' A' ' 54' ' ' GLY . 43.8 m-85 -155.18 146.82 23.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.415 . . . . 1.0 110.773 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.64 131.51 37.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.237 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -99.48 127.23 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.79 137.78 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -119.74 152.48 37.13 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.22 166.11 10.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.111 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -60.62 -37.4 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.131 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 5.6 m -139.36 176.82 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.737 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.01 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.711 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -40.51 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.684 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.96 -45.23 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.719 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.73 -53.19 59.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.2 p -59.8 -39.49 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -60.02 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.94 -29.84 9.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -36.69 59.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.258 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -82.85 -25.5 32.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.3 mt -77.21 -39.66 28.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.15 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 tp -80.12 -30.83 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.41 -13.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -70.17 -26.15 63.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.996 0.427 . . . . 1.0 110.059 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.88 138.4 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.98 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -56.7 26.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.059 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.58 114.18 3.91 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.078 1.852 . . . . 1.0 111.971 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.8 Cg_exo -48.26 -177.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.854 1.703 . . . . 1.0 111.922 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.1 tp -77.97 122.24 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.484 ' HZ1' ' C ' ' A' ' 85' ' ' LYS . 30.4 tptt -117.03 131.94 56.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.179 0.514 . . . . 1.0 110.906 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -135.55 134.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.439 -0.8 . . . . 1.0 108.991 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -33.86 104.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.448 0.467 . . . . 1.0 110.866 -179.346 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.9 -48.64 0.78 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.83 -0.7 . . . . 1.0 111.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.484 ' C ' ' HZ1' ' A' ' 81' ' ' LYS . 0.5 OUTLIER 178.93 -176.31 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.458 . . . . 1.0 111.122 -179.149 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t -74.73 142.99 44.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.501 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -120.37 136.59 56.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.888 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.4 173.82 15.69 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.392 -0.683 . . . . 1.0 111.392 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 t -130.28 141.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.736 0.303 . . . . 1.0 110.59 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.0 163.87 32.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.681 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 93' ' ' LYS . 11.7 m-85 -83.39 173.12 11.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.52 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.78 89.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.531 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' PHE . 10.0 mtpt -137.02 -176.68 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.644 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -178.57 89.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.523 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.67 94.78 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 96.05 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 1.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' ND1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -147.23 -80.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.54 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -70.41 65.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.39 8.87 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -139.84 35.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 1.8 t60 -144.06 70.86 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 9' ' ' MET . 7.0 tmm? 55.44 112.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -174.6 30.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.523 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.91 132.29 12.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.395 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.85 127.42 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.82 144.46 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.673 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.31 148.83 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -129.68 150.93 50.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.424 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.0 t30 68.81 55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 1.0 111.129 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.9 mm -95.74 134.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 162.46 74.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.13 -3.97 14.3 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.768 2.312 . . . . 1.0 112.252 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.16 22.87 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.824 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -87.35 129.94 34.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.667 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.17 142.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.31 -24.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -67.68 -44.88 76.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.715 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 m -71.15 -50.33 34.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.701 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.22 -24.58 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -74.6 -57.67 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.9 m -66.92 -24.27 66.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.024 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.435 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.85 7.79 41.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.678 0.275 . . . . 1.0 111.092 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.24 62.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.721 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.42 -4.01 14.25 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.157 1.905 . . . . 1.0 112.231 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -102.06 -27.68 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 176.05 -177.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -116.11 131.4 56.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.329 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.79 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.456 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.08 129.87 18.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.468 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.05 -39.83 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.347 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.07 2.73 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.481 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -116.65 1.75 12.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.839 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.91 129.16 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.877 0.37 . . . . 1.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -132.5 120.46 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.03 139.23 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.7 101.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.009 0.433 . . . . 1.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -103.71 123.28 46.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.675 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD2' ' CZ ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -106.17 157.25 17.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.585 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -84.37 9.08 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.177 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -93.38 -57.5 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -0.48 57.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.447 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 23.17 10.58 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.355 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -178.44 174.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.137 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -36.21 137.59 0.25 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.059 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CZ ' ' OD2' ' A' ' 46' ' ' ASP . 24.3 mtt180 -91.43 33.3 1.0 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.087 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 81.48 25.27 54.64 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 32.3 m-85 -147.95 147.89 30.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 1.0 110.74 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.98 136.64 17.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.385 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.84 130.84 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.78 123.84 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -111.59 152.77 27.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.278 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.27 166.52 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.202 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -58.58 -37.2 75.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.26 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -127.94 -178.87 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.712 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.91 -33.53 21.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -25.19 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.55 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.64 -13.76 61.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.646 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.99 -58.98 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -36.76 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.354 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -25.48 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -79.74 -38.47 33.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.281 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.84 -26.29 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.72 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.62 -40.53 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.054 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.75 -31.62 46.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.863 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.6 mt-30 -85.9 -12.17 51.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.749 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.18 -26.45 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.017 0.437 . . . . 1.0 110.041 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.54 138.29 50.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.009 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -56.49 28.38 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.7 Cg_endo -76.35 114.27 3.85 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.147 1.898 . . . . 1.0 111.944 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.91 -177.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.848 1.699 . . . . 1.0 112.025 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.1 tp -79.0 120.4 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -121.81 116.8 25.11 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.824 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -116.43 133.71 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.34 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.3 m-20 -32.67 104.04 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.425 0.453 . . . . 1.0 110.974 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.38 -54.23 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -179.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 1.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 t -71.86 142.57 49.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.716 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -121.03 135.98 59.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.23 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.303 -0.719 . . . . 1.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.9 t -131.88 141.28 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.66 0.267 . . . . 1.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -143.06 151.64 41.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.664 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -71.06 173.02 8.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.73 121.74 22.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.545 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -106.03 -129.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -154.87 121.64 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.633 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tpt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 3' ' ' HIS . . . -98.33 22.68 39.68 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.416 ' CG ' ' C ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -179.49 146.54 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.572 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -37.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.74 124.72 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.483 ' CD2' ' H ' ' A' ' 6' ' ' HIS . 8.0 m-70 -53.98 121.77 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -3.53 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.65 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.583 ' CG ' ' H ' ' A' ' 9' ' ' MET . 14.1 t-80 -51.96 -175.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.493 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.583 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 4.7 mtt -49.59 144.87 5.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.558 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.5 t0 -172.12 24.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 123.13 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.61 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.31 136.36 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.167 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.84 120.01 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.529 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.27 133.45 37.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.5 ttm180 -117.27 146.85 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.423 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 86' ' ' THR . 40.9 t30 80.19 53.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 17' ' ' ILE . 27.8 mm -96.6 124.82 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.317 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' ND2' ' A' ' 52' ' ' ASN . . . -71.26 161.29 79.16 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.416 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.433 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 41.6 Cg_endo -70.34 4.05 2.67 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.593 2.195 . . . . 1.0 112.227 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 33.8 t60 -116.19 27.43 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.805 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.29 137.91 31.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 1.0 110.988 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.14 142.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.479 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.86 -21.64 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.586 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -40.13 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.64 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.0 m -66.67 -56.3 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -50.93 -46.21 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.4 mtt -49.84 -59.15 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.9 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -34.85 69.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 34' ' ' ALA . 49.0 mt -101.08 7.34 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.013 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.93 59.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.645 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.06 -4.74 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.117 1.878 . . . . 1.0 112.211 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.21 -26.5 12.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 176.06 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.44 83.16 7.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.616 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -174.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.508 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.15 127.7 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.44 -39.32 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.35 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -80.29 2.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.542 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 2.4 t-20 -115.82 1.88 13.49 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.665 0.269 . . . . 1.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -138.44 126.37 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -132.87 119.63 20.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.791 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.87 108.01 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 tt -59.92 114.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.227 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -104.03 117.04 33.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.175 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.1 160.52 14.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.949 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 4.2 tppt? -87.82 -18.71 28.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.419 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -57.55 8.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.388 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.12 -5.88 46.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.071 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 1.0 OUTLIER 62.0 22.51 13.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.15 179.424 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 5.3 pt20 -176.57 178.49 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.446 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 18' ' ' ALA . 2.5 p30 -33.92 130.19 0.31 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.004 -0.544 . . . . 1.0 111.784 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 4.6 ttp180 -78.76 24.18 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.326 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 93.89 3.21 64.18 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.139 -0.553 . . . . 1.0 111.88 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -153.04 166.7 31.62 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 122.494 -0.415 . . . . 1.0 110.74 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.18 142.16 16.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.111 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.75 140.7 29.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.888 0.375 . . . . 1.0 110.677 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.43 128.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.345 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 11.4 tt0 -115.17 149.59 37.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.395 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.15 166.69 10.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.166 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -58.64 -37.42 75.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.269 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 49.3 m -136.73 172.86 12.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.69 -28.93 58.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.648 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -77.15 -21.63 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.618 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.02 -19.03 59.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.15 -54.75 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -36.77 83.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -54.68 43.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.615 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -23.1 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.75 -38.19 26.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.321 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -82.55 -28.98 30.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 1.0 110.16 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mt -74.8 -36.1 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.405 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tp -82.81 -34.31 26.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.645 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -80.62 -12.34 59.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.378 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -28.43 66.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 1.0 110.072 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.98 137.84 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.159 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -56.13 34.87 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.172 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 59.6 Cg_endo -75.84 113.8 3.8 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.133 1.889 . . . . 1.0 112.021 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.55 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.877 1.718 . . . . 1.0 112.022 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -74.53 130.2 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.854 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -127.84 113.84 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 1.0 110.91 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' ASP . 69.4 mt -114.84 135.9 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 62.9 m-20 -32.09 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.4 0.437 . . . . 1.0 111.09 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.91 -56.7 0.55 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -175.43 -179.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 1.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 6.7 t -68.19 142.67 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 mm -123.14 140.11 47.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 171.55 13.81 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.22 140.32 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.78 0.324 . . . . 1.0 110.415 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -140.88 163.24 33.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.746 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 8.1 m-85 -82.09 172.95 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.44 170.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -153.53 -69.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 p 43.03 34.03 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.563 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.68 -65.17 0.7 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 179.5 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 1.0 110.497 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -101.06 -76.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -91.73 151.52 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.472 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 146.19 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -144.02 11.05 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.505 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -12.58 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.6 ttt -143.78 113.01 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -172.59 27.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.525 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.601 ' HG1' HE21 ' A' ' 59' ' ' GLN . 1.3 m -152.67 134.31 14.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.328 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -106.96 159.32 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' A' ' 90' ' ' ASP . 1.9 tt -131.82 144.66 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.49 146.13 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.393 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -128.37 147.61 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.7 t30 67.71 54.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -89.71 132.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.446 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 158.91 64.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.423 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 58.0 Cg_endo -72.83 -7.31 20.54 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.485 2.124 . . . . 1.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 46.3 t60 -106.61 22.74 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.874 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -87.51 140.12 29.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.29 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.402 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -23.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.64 -44.46 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.679 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.5 m -69.47 -41.46 76.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.02 -28.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 mmt -70.74 -60.28 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -66.77 -24.38 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.004 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -33.75 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.064 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.7 mt -101.74 7.5 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.963 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -53.82 60.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.631 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.65 -5.8 16.36 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.069 1.846 . . . . 1.0 112.193 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -98.15 -27.9 13.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.741 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 173.12 -177.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.495 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 t -114.14 130.85 56.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.55 -175.11 2.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.57 129.23 18.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.571 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -48.85 -39.36 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.459 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.466 HD21 ' C ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -81.88 3.92 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.586 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.75 1.13 12.14 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.608 -0.269 . . . . 1.0 110.809 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -134.47 129.63 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -132.46 105.61 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -89.16 105.56 17.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.142 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.78 144.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.568 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -116.42 145.86 42.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.241 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -109.61 154.88 22.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.883 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -90.75 -10.44 42.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.462 179.801 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.2 -57.74 3.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.773 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -108.0 8.34 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.414 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 50' ' ' GLN . 5.2 mm100 63.95 11.08 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.049 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -139.63 166.57 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.57 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -35.74 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.378 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -89.01 36.77 0.82 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.56 30.86 42.97 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.567 -0.613 . . . . 1.0 111.567 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 70.0 m-85 -156.14 147.4 22.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.771 0.32 . . . . 1.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.73 143.6 22.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.24 136.42 45.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.736 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.48 123.0 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.601 HE21 ' HG1' ' A' ' 11' ' ' THR . 23.0 tt0 -114.99 152.77 31.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 1.0 109.94 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.38 165.95 11.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 p -63.24 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.302 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -122.63 -177.87 3.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.726 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.86 -47.86 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.98 -39.41 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.657 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.53 -29.34 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.3 -56.49 10.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -61.74 -35.97 79.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -55.86 29.23 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.773 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.71 -25.58 67.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -80.38 -39.31 28.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.358 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.76 -25.2 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.1 mt -77.61 -38.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 tp -80.59 -33.33 36.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.724 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 93.2 mt-30 -84.3 -12.19 55.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.596 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -27.84 65.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 1.0 109.944 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.18 138.46 47.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.097 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -57.12 19.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.294 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' PRO . 58.1 Cg_endo -74.34 114.52 4.05 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.053 1.835 . . . . 1.0 111.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.28 -175.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.957 1.771 . . . . 1.0 112.0 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -79.15 118.09 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.124 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -119.73 115.94 24.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.671 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' ASP . 78.1 mt -117.55 136.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.729 -0.668 . . . . 1.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' ILE . 16.3 m-20 -31.35 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.533 0.52 . . . . 1.0 110.942 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.11 -56.22 0.55 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -177.85 -177.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 1.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -68.64 142.51 55.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.909 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.2 138.66 51.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.57 169.61 13.0 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.251 -0.74 . . . . 1.0 111.251 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.9 140.21 49.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 1.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -135.63 166.96 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.476 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.64 172.77 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.57 108.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.513 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.0 -168.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 95' ' ' ALA . 78.7 p -142.9 90.15 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.2 -110.5 3.89 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.605 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 2.2 p-80 -139.57 123.82 17.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 1.0 110.506 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -46.74 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -64.93 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.631 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -62.07 -176.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.3 128.6 40.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.495 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -79.68 179.39 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.03 146.57 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.611 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.04 29.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.59 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 58' ' ' VAL . 1.2 t -152.59 161.84 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.497 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.09 169.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.458 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' OD2' ' A' ' 90' ' ' ASP . 1.5 tt -147.44 138.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.603 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.44 142.57 27.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.271 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -128.26 149.53 50.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.684 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.61 56.4 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.797 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.45 147.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.482 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.86 160.67 49.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.702 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.29 -0.29 9.45 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.776 2.317 . . . . 1.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 56.5 t-80 -99.82 15.82 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.218 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 28.4 m -87.71 129.41 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -129.01 142.35 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.502 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -41.84 -34.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -37.14 86.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.703 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' VAL . 22.4 m -73.8 -40.2 63.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.746 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.23 -51.27 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.71 -58.91 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -63.67 -33.87 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.289 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.63 70.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.139 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' ALA . 55.2 mt -102.88 7.31 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 1.0 110.974 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -54.21 55.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 111.681 0.252 . . . . 1.0 111.681 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -77.12 -6.17 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.14 1.894 . . . . 1.0 112.427 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -100.54 -26.3 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 171.36 138.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.487 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -85.88 74.61 10.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.12 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.09 129.51 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.503 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.8 t -51.26 -39.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -80.95 1.87 29.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.433 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -114.83 1.64 14.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.699 -0.228 . . . . 1.0 111.024 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -135.27 134.73 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.757 0.313 . . . . 1.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -124.85 113.88 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.89 101.03 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.07 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.85 97.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.012 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 146.12 29.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.723 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.98 161.49 15.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.678 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 12.6 tptt -90.77 -0.45 57.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.732 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -86.9 -57.86 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.74 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -107.6 19.66 19.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.267 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 16.8 mp0 41.96 28.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.086 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' ASN . 56.5 mt-30 -157.4 161.74 39.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.501 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -30.38 137.65 0.03 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.901 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -83.13 29.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 89.88 24.59 29.58 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 92.1 m-85 -158.15 145.56 18.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 1.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.68 144.45 23.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.629 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -106.93 142.24 36.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 11' ' ' THR . 1.9 p -142.47 138.7 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.761 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -128.65 152.33 48.5 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.302 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.82 167.53 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.068 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 62' ' ' SER . 87.4 p -58.46 -37.58 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.522 ' N ' ' HG ' ' A' ' 61' ' ' SER . 1.7 m -125.78 -178.02 4.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.647 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.17 -42.31 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.704 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -34.0 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.584 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.24 -35.9 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.55 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.533 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -65.35 -31.49 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -58.79 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.57 -27.3 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.42 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -35.23 45.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.144 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -82.65 -28.68 30.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.887 0.375 . . . . 1.0 110.322 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.57 -40.4 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.608 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.96 -32.65 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.21 -11.61 57.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.441 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -28.09 66.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 1.0 110.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -72.04 138.55 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.055 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -55.89 39.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.215 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.1 Cg_endo -77.48 114.3 3.69 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.192 1.928 . . . . 1.0 111.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.77 -175.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.916 1.744 . . . . 1.0 111.779 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.37 118.68 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.64 116.33 25.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.739 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.5 mt -115.86 136.17 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.475 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 82' ' ' ILE . 57.1 m-20 -33.49 104.06 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.383 0.427 . . . . 1.0 110.958 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.34 -56.49 0.54 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -174.06 -179.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.741 0.305 . . . . 1.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 t -70.64 142.57 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.636 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.47 134.2 64.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.675 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.79 173.21 14.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.42 -0.672 . . . . 1.0 111.42 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.38 139.54 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 1.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -144.13 158.08 43.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.498 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -74.33 173.06 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.522 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.91 152.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 mttt 54.34 179.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.1 m -137.4 128.8 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.57 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.797 0.332 . . . . 1.0 110.62 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 19.9 p-10 -174.01 33.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.689 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.68 143.35 22.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.3 164.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.464 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.515 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -144.73 138.15 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.646 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -95.14 140.85 29.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.102 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -125.49 149.34 48.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.754 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 t30 62.23 59.17 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.69 146.84 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 157.41 80.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.665 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.39 3.38 5.86 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.627 2.218 . . . . 1.0 112.333 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 58.8 t-80 -104.23 12.31 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.999 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -87.56 145.61 26.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.12 176.28 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.436 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.62 -28.0 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.623 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -41.15 70.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.773 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -63.13 -57.31 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.75 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.89 -35.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.788 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.431 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mmt -64.32 -58.88 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 m -68.61 -24.29 64.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 -34.39 66.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.314 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.0 mt -102.45 7.78 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.071 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.42 62.96 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.749 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.21 -4.79 14.61 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.127 1.884 . . . . 1.0 112.388 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.7 m-85 -99.41 -27.02 13.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.975 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 175.75 -179.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.619 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.476 ' C ' HD23 ' A' ' 36' ' ' LEU . 29.2 t -111.86 130.38 55.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.717 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.97 -179.19 3.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.412 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.94 17.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.9 t -48.62 -38.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.55 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.46 5.03 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.687 -0.233 . . . . 1.0 111.605 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.8 t-20 -118.3 0.92 11.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.555 -0.293 . . . . 1.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 pt -132.33 133.1 60.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 1.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -122.15 96.92 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.79 100.74 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.234 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.39 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.953 0.406 . . . . 1.0 111.279 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -87.18 28.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 91.0 29.78 12.23 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.489 -0.645 . . . . 1.0 111.489 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 94.3 m-85 -157.7 146.72 19.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.784 0.326 . . . . 1.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.99 139.83 18.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.471 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 2.2 m-85 -107.97 140.93 40.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.623 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 58' ' ' VAL . 4.3 p -142.94 128.67 16.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.79 152.21 29.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.107 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.46 165.97 11.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.182 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.188 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -127.98 -177.97 4.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.699 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.59 -48.87 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.65 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.1 mtt -57.21 -38.94 74.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.36 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.718 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.97 19.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.0 p -60.84 -37.93 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -55.36 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.756 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.93 -26.56 67.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -80.5 -36.94 32.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.31 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -82.68 -26.61 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.5 mt -76.9 -40.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.741 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 89' ' ' VAL . 5.1 tp -77.99 -33.04 51.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.956 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -84.36 -13.4 52.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -70.86 -26.04 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 1.0 110.115 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.6 137.57 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.802 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -55.93 36.14 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.254 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.8 Cg_endo -78.43 114.09 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.165 1.91 . . . . 1.0 112.052 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.38 -176.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.94 1.76 . . . . 1.0 111.725 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -84.48 120.28 26.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 123.07 18.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.959 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -126.54 153.28 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.51 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -34.51 103.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.928 0.394 . . . . 1.0 110.825 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.49 -62.7 0.44 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.56 -178.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.887 0.375 . . . . 1.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -71.11 143.23 50.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.73 133.8 67.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.694 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.49 174.01 15.44 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.293 -0.723 . . . . 1.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 73' ' ' LEU . 12.7 t -133.17 140.26 47.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.723 0.297 . . . . 1.0 110.417 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.54 161.56 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.616 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 25.8 m-85 -78.87 172.53 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.456 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.486 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.749 0.309 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -174.8 31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -152.81 139.07 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.55 163.63 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 2.9 tt -147.31 126.79 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 1.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.5 mt -83.45 144.74 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -126.29 149.35 49.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.485 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 62.15 60.53 1.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -102.38 156.94 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.15 159.9 50.05 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 72.7 Cg_endo -75.55 2.73 6.58 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.596 2.198 . . . . 1.0 112.563 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 20.8 t-80 -106.97 21.13 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.086 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -87.79 139.07 30.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.817 0.341 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.15 142.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.361 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.66 -23.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 1.0 110.707 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -50.99 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.772 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -68.44 -40.87 80.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.811 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.65 -27.31 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.685 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.413 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.5 mmt -74.77 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.736 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -64.51 -24.06 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.077 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 -33.82 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.143 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -102.24 7.84 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -53.54 63.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.728 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -78.06 -4.47 14.4 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.124 1.883 . . . . 1.0 112.16 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.5 -28.47 12.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.965 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.84 -176.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.706 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -118.21 129.86 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.317 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.38 -177.35 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.514 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.19 129.98 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.402 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.87 -39.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.658 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -83.46 4.87 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.9 t-20 -118.33 0.05 11.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 9.6 pt -126.44 141.62 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.734 0.302 . . . . 1.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -132.09 105.04 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.99 114.94 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.942 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.03 0.443 . . . . 1.0 111.462 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -89.41 32.88 0.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 90.86 31.56 9.9 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 74.8 m-85 -155.89 147.03 22.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.915 0.388 . . . . 1.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.23 130.05 17.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.476 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 3.4 m-85 -101.73 135.24 43.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 4.3 p -142.67 138.95 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.955 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.4 152.48 38.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.035 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.6 mm? -108.8 165.25 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.118 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -59.85 -37.72 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.046 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 m -124.79 -177.94 4.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.96 -48.82 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ttt -58.58 -42.06 87.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -49.54 -35.19 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.24 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -65.32 -37.95 88.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.352 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -53.97 51.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.786 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -58.99 -23.33 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.327 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -37.28 28.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.76 -28.38 30.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 1.0 110.385 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.29 -42.04 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 89' ' ' VAL . 4.9 tp -76.97 -32.54 57.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.97 -10.32 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 1.0 110.522 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -68.61 -29.89 68.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.03 0.443 . . . . 1.0 109.961 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.5 138.89 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.988 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -56.62 28.56 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.27 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 67.1 Cg_endo -76.65 114.25 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.083 1.856 . . . . 1.0 112.004 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.0 Cg_exo -48.37 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.75 1.633 . . . . 1.0 111.853 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.9 tp -79.3 122.13 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 1.0 109.951 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 121.04 34.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.588 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.0 mt -121.25 135.93 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.654 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.8 m-20 -33.01 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.417 0.448 . . . . 1.0 110.863 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.42 -58.13 0.53 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -172.19 -179.74 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 1.0 110.678 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 140.9 51.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.48 132.19 69.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.684 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.92 173.4 15.55 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG21 HD23 ' A' ' 73' ' ' LEU . 4.8 t -131.41 140.04 49.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.804 0.335 . . . . 1.0 110.614 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.11 159.9 42.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.561 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.73 172.98 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.776 0.322 . . . . 1.0 110.458 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -175.42 37.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.876 0.369 . . . . 1.0 110.767 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 139.15 18.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.447 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -106.91 158.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.216 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -138.32 144.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.944 0.402 . . . . 1.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.63 139.07 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.131 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.59 149.65 48.19 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.548 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 56.8 t30 63.65 57.3 1.44 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.976 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.15 156.57 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.311 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -91.74 159.86 37.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.735 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 67.0 Cg_endo -74.98 2.45 6.6 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.734 2.29 . . . . 1.0 112.164 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 78.6 t60 -103.46 20.12 18.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.064 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 m -87.41 137.36 32.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.609 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.39 142.74 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -48.66 -21.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.18 -54.22 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -64.31 -48.99 73.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.735 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -53.07 -31.53 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.82 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.3 mmt -73.15 -58.54 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -24.24 65.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.086 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.87 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.322 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.52 7.86 42.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.072 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -53.21 63.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.812 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -78.16 -3.17 13.19 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.106 1.871 . . . . 1.0 112.172 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 89.4 m-85 -100.53 -26.87 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.818 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.07 -179.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.427 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.15 133.69 53.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.46 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.71 176.25 5.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.532 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.13 129.89 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.5 t -48.39 -39.61 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.554 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.54 4.38 24.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.623 -0.262 . . . . 1.0 111.554 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.32 0.67 12.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.658 -0.246 . . . . 1.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 pt -131.26 134.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 120.739 0.305 . . . . 1.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -123.44 101.5 7.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.01 101.34 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.708 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 44' ' ' ILE . 8.6 tt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.576 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.839 0.352 . . . . 1.0 111.353 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -91.22 32.51 1.03 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.77 24.17 39.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.142 -0.783 . . . . 1.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 96.9 m-85 -158.8 145.58 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 1.0 110.653 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.47 140.63 22.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -107.28 134.34 50.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.13 126.1 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.512 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -112.24 152.4 28.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.133 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -110.08 165.62 11.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.099 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -58.57 -37.84 76.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.15 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -128.37 -178.0 4.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.592 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 -43.15 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.629 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -34.94 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.53 -35.27 77.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -52.87 62.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -62.57 -39.51 93.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -54.96 39.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.4 -24.8 67.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -39.55 27.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.268 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -82.73 -27.1 31.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.885 0.374 . . . . 1.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.48 -38.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.571 HD21 HD22 ' A' ' 80' ' ' LEU . 6.1 tp -80.85 -34.53 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.753 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.83 -10.79 59.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 1.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -70.44 -24.57 62.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.41 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.01 134.96 50.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -57.06 11.08 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.746 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -79.08 150.21 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.985 1.79 . . . . 1.0 111.455 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.96 166.75 29.19 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.065 1.843 . . . . 1.0 111.422 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 HD21 ' A' ' 73' ' ' LEU . 60.4 tp -61.0 122.54 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.527 -0.469 . . . . 1.0 109.878 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -116.31 131.09 57.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.225 0.536 . . . . 1.0 110.806 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASP . 83.2 mt -135.26 133.9 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.396 -0.82 . . . . 1.0 108.871 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' ILE . 43.3 m-20 -34.38 103.88 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.322 0.389 . . . . 1.0 110.738 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.28 -48.94 0.71 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.027 -0.606 . . . . 1.0 111.793 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.548 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER 177.39 -175.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.887 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.8 t -74.0 141.16 45.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.657 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.51 135.23 61.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.89 173.34 15.11 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.428 -0.669 . . . . 1.0 111.428 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 73' ' ' LEU . 14.4 t -132.6 140.32 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 1.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.92 160.88 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.499 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.1 m-85 -78.38 173.0 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.335 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.575 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 ttp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.856 0.36 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -158.98 27.28 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.485 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.83 134.61 14.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pt -106.84 158.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.43 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.56 140.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.21 143.9 26.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.419 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -122.41 147.4 46.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.615 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.423 ' O ' HD13 ' A' ' 87' ' ' ILE . 46.7 t30 75.84 55.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.04 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -100.3 133.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 1.0 110.845 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -72.27 161.11 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.131 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 56.9 Cg_endo -72.45 -5.13 16.56 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.559 2.173 . . . . 1.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 19.5 t-80 -104.4 21.99 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.934 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.84 143.26 27.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.935 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.17 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.615 HG22 HD23 ' A' ' 43' ' ' LEU . 9.1 t -48.36 -24.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.555 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -34.34 62.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 m -73.84 -32.31 63.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -84.9 -24.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.8 mmm -70.47 -57.16 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.695 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -64.94 -24.64 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.927 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.37 65.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.962 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.2 mt -101.77 7.57 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -53.22 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.792 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.07 -5.56 15.24 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.186 1.924 . . . . 1.0 112.424 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -93.45 -26.98 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.69 -171.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.495 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.5 123.23 48.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.45 173.16 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.433 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.25 128.44 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -49.03 -38.75 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.493 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -82.37 4.98 21.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.583 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.9 0.83 12.0 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.878 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 6.1 pt -133.5 130.5 56.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.5 142.53 49.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.89 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD23 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -108.43 110.31 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.75 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.773 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.888 0.375 . . . . 1.0 111.063 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -80.83 25.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.146 0.498 . . . . 1.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 92.11 26.33 19.21 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.297 -0.721 . . . . 1.0 111.297 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' GLY . 45.0 m-85 -153.4 146.26 24.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 1.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.68 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.96 132.02 46.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.765 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -112.69 152.66 28.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.152 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 69' ' ' LEU . 4.4 mm? -108.08 166.22 10.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.194 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -37.04 82.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.197 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -127.49 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.36 -35.44 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -29.12 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -34.76 78.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.754 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.22 -53.33 59.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -56.04 20.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.768 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.12 -25.2 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.249 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -78.98 -38.01 37.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.47 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.58 -28.42 30.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -70.52 -42.79 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.7 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.432 HD21 HD22 ' A' ' 80' ' ' LEU . 3.6 tp -76.21 -35.55 59.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.64 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.87 -8.78 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.305 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -74.31 -26.4 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.244 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.24 138.59 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.849 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -56.74 23.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.066 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 74.3 Cg_endo -77.51 114.1 3.65 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.09 1.86 . . . . 1.0 111.785 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.95 -178.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.802 1.668 . . . . 1.0 111.814 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 73' ' ' LEU . 51.4 tp -81.27 121.06 25.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 121.71 37.36 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.778 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -122.31 133.74 67.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.512 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 81.5 m-20 -31.15 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.536 0.522 . . . . 1.0 111.0 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.83 -59.23 0.53 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -172.87 173.64 3.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 1.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t -63.47 142.57 58.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.58 131.72 71.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.714 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.69 163.85 12.11 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.338 -0.705 . . . . 1.0 111.338 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.85 139.71 42.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.55 166.39 25.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 1.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 70' ' ' LEU . 11.8 m-85 -87.14 173.08 9.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.488 179.745 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 ttt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.947 0.404 . . . . 1.0 110.552 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 6.7 p30 -175.08 26.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 2.0 m -153.15 135.08 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.385 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.82 156.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 tt -134.13 144.56 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.387 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.88 140.87 35.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.0 ttm180 -121.44 146.67 46.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.1 t30 80.04 52.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 mm -98.02 127.14 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.553 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.84 91.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.54 13.37 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.419 2.08 . . . . 1.0 111.986 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -120.75 19.65 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.515 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.5 m -87.37 149.05 24.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.906 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 142.51 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.245 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.4 t -45.08 -28.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -54.47 14.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 1.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 m -50.82 -49.95 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.74 -44.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.443 ' HG2' HD12 ' A' ' 36' ' ' LEU . 32.9 mtp -58.79 -60.24 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.026 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -55.98 -25.63 44.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.154 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.03 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 mt -101.21 7.18 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.68 52.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.616 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -77.17 -5.38 15.72 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.185 1.923 . . . . 1.0 112.422 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 73' ' ' LEU . 73.0 m-85 -92.48 -29.97 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.47 -171.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p -106.74 119.32 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.369 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.54 172.12 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.49 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.11 128.44 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.47 -38.72 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.362 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.86 1.79 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.609 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.3 t-20 -114.19 0.91 14.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.682 -0.236 . . . . 1.0 110.996 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -130.63 136.1 59.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 1.0 110.542 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -132.07 123.77 27.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 102.67 14.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.02 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' ILE . 3.1 tt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.876 0.37 . . . . 1.0 111.468 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -86.5 29.29 0.78 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.466 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 86.23 20.93 53.9 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 31.3 m-85 -151.58 147.51 26.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 1.0 110.702 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.88 135.64 33.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -103.09 133.59 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 1.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.91 125.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 1.2 mp0 -110.49 152.21 26.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.158 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.98 166.15 11.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.33 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.81 -178.74 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.34 -29.2 23.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptm -78.76 -20.13 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -10.58 59.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.731 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.17 -55.38 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -38.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.96 -59.21 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.78 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -51.7 -28.19 14.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.915 0.388 . . . . 1.0 110.379 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 89' ' ' VAL . 1.1 tp -71.44 -38.74 71.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.188 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -81.31 -47.49 13.25 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.02 -39.84 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.505 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD12 ' CE2' ' A' ' 33' ' ' TYR . 4.4 tp -81.23 -42.65 20.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.53 -11.99 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' GLN . 4.6 t -71.1 -27.11 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.485 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.28 137.04 44.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.168 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -52.94 -60.25 7.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' PRO . 48.1 Cg_endo -70.24 114.14 3.68 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.047 1.831 . . . . 1.0 111.879 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.7 Cg_exo -47.88 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.789 1.659 . . . . 1.0 111.949 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HB2' HD21 ' A' ' 73' ' ' LEU . 57.3 tp -79.34 122.29 26.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.063 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -116.89 131.86 56.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.762 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' ASP . 85.4 mt -135.57 134.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.901 -0.777 . . . . 1.0 108.901 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' ILE . 3.2 m-20 -34.26 103.97 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.287 0.367 . . . . 1.0 110.67 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.47 -49.51 0.74 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.923 -0.656 . . . . 1.0 111.892 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 178.86 -175.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.66 -0.416 . . . . 1.0 111.043 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -74.05 142.89 45.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.89 138.82 50.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.4 171.66 13.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.462 HG12 HD12 ' A' ' 70' ' ' LEU . 1.5 t -125.41 138.11 55.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.673 0.273 . . . . 1.0 110.438 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.75 161.65 35.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.527 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 70' ' ' LEU . 5.3 m-85 -79.48 172.89 13.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.446 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.8 ptt? . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.819 0.343 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -169.55 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.625 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -151.53 128.05 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -106.87 129.52 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.302 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 tt -102.58 144.67 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.95 144.67 30.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -126.21 148.06 49.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.291 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' O ' HD13 ' A' ' 87' ' ' ILE . 51.2 t30 73.86 53.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.27 117.51 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.258 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -65.91 162.49 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.533 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 47.0 Cg_endo -70.92 0.1 7.03 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.645 2.23 . . . . 1.0 112.136 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 51.7 t-80 -108.47 21.91 16.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.825 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -87.17 135.34 33.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 145.14 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.23 -21.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.581 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -47.54 73.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.681 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -69.28 -42.02 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.703 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.61 -25.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.752 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.0 mmt -74.92 -59.66 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.755 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -67.46 -24.2 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.038 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.94 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.162 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.9 mt -102.03 7.53 41.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.106 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -53.41 61.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.56 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.13 -5.27 15.66 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.043 1.829 . . . . 1.0 112.155 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.6 m-85 -99.75 -27.27 13.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.735 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.4 -177.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.657 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.542 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.78 131.43 56.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.94 -178.77 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.411 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.06 128.67 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' VAL . 7.3 t -49.26 -38.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.343 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -81.75 3.62 25.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 1.0 111.54 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.52 1.6 12.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.636 -0.257 . . . . 1.0 110.925 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 pt -133.66 132.59 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.78 0.324 . . . . 1.0 110.436 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -132.36 104.36 6.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.469 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.77 105.22 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.602 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.792 0.329 . . . . 1.0 111.828 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -85.29 28.81 0.7 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.45 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 80.01 22.14 64.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 62.4 m-85 -155.75 147.29 22.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.876 0.369 . . . . 1.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.74 143.35 31.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.544 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.53 131.56 54.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 126.51 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.86 152.35 26.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.175 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.65 165.88 11.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.199 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 t -60.95 -36.88 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.199 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -177.99 4.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.57 -48.4 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.689 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.86 -43.74 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.684 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.93 49.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.82 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.9 p -71.47 -31.89 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -53.84 21.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.669 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.45 -22.06 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.301 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.84 26.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.243 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -82.55 -30.29 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 1.0 110.183 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.86 -35.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -82.74 -35.15 26.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.87 -11.89 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.433 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -67.24 -29.99 69.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 1.0 109.983 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.88 138.34 48.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.031 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -56.07 37.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.0 Cg_endo -76.47 114.27 3.84 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.026 1.817 . . . . 1.0 111.961 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.6 Cg_exo -47.91 -177.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.866 1.711 . . . . 1.0 111.96 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 73' ' ' LEU . 42.6 tp -74.75 123.15 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.026 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -123.75 116.29 22.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 1.0 110.946 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 83' ' ' ASP . 77.6 mt -116.2 136.08 54.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 1.0 109.342 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' ILE . 29.6 m-20 -33.36 104.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.385 0.428 . . . . 1.0 110.933 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.88 -56.83 0.53 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -174.5 178.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.0 110.69 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.74 141.37 56.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.17 136.65 56.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.675 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.59 171.25 13.63 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.117 -0.793 . . . . 1.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.17 140.14 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 1.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 152.82 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.532 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -72.26 172.92 9.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 1.0 110.69 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -168.54 41.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.597 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -152.81 145.09 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.8 164.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.348 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.413 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -145.21 138.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 1.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.4 mt -95.68 138.61 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.136 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -125.42 150.56 47.16 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 63.1 56.03 1.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.802 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -98.27 151.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.82 159.09 49.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.742 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 65.7 Cg_endo -74.71 4.73 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.552 2.168 . . . . 1.0 112.379 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 83.5 t60 -107.39 19.66 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.088 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -87.74 138.89 31.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.692 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -135.14 142.31 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.599 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -45.6 -22.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' VAL . 13.7 t70 -68.64 -43.14 76.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -72.71 -55.47 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.56 -26.13 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 mmt -76.31 -60.65 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -67.89 -24.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.036 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.41 67.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.249 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -100.56 7.2 44.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.966 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -54.14 56.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.6 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.1 -6.43 17.3 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.115 1.877 . . . . 1.0 112.112 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 90.1 m-85 -96.57 -26.43 15.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.67 179.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.407 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.36 126.95 55.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.551 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.689 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.57 176.53 5.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.241 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.85 128.59 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -49.37 -39.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.318 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 2.17 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.538 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.4 t-20 -115.19 1.91 13.96 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.629 -0.26 . . . . 1.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.488 HG22 HG23 ' A' ' 58' ' ' VAL . 7.4 pt -133.87 141.7 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 120.848 0.356 . . . . 1.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.52 98.36 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.82 100.02 12.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.225 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.882 0.372 . . . . 1.0 111.528 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -83.27 27.99 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.88 23.14 42.98 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.261 -0.736 . . . . 1.0 111.261 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 78.8 m-85 -157.56 146.96 20.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.319 . . . . 1.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.85 146.47 27.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.682 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.8 m-85 -113.62 141.51 47.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.432 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 HG22 ' A' ' 41' ' ' ILE . 14.1 p -142.72 139.33 28.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.931 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 60' ' ' LEU . 35.2 tt0 -119.34 152.37 36.87 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.205 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.4 mm? -111.98 165.94 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.199 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -59.1 -37.63 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -136.9 -177.93 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.664 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.36 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.68 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -38.48 65.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.764 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -43.91 95.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.724 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -50.48 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 p -63.02 -35.3 79.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.87 6.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.732 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -52.06 -30.12 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.446 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -77.14 -35.35 56.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.69 -26.86 31.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 1.0 110.493 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.41 -39.2 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 HG21 ' A' ' 89' ' ' VAL . 19.9 tp -79.16 -33.24 44.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 97.6 mt-30 -81.75 -13.53 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -26.17 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 1.0 109.94 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.24 137.52 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.054 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -55.56 43.05 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.9 Cg_endo -77.92 114.17 3.57 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.074 1.849 . . . . 1.0 111.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.3 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 121.829 1.686 . . . . 1.0 111.911 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.5 tp -81.34 118.98 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.95 38.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.998 0.428 . . . . 1.0 110.741 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.9 mt -123.29 136.59 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.498 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.4 m-20 -31.08 104.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 111.007 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.17 -60.44 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.74 176.94 2.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.35 . . . . 1.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -63.6 140.33 58.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.749 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.44 134.1 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.568 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.52 173.42 15.02 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.361 -0.696 . . . . 1.0 111.361 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.641 HG21 HD23 ' A' ' 73' ' ' LEU . 12.6 t -132.09 139.91 49.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.374 . . . . 1.0 110.306 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.03 157.96 44.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -74.9 172.95 11.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.554 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.2 ttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.38 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 9.1 p30 -167.28 23.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.703 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -153.01 136.77 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.273 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.85 159.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.406 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 13' ' ' ILE . 2.8 tt -132.84 144.55 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.41 143.34 30.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -123.88 148.7 46.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.493 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 72.21 60.58 0.13 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.024 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 20.3 mm -102.05 142.31 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.574 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -78.03 159.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.251 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 57.9 Cg_endo -72.68 8.73 1.48 Allowed 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.637 2.224 . . . . 1.0 112.36 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -119.66 26.27 9.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.638 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 2.2 m -87.78 137.65 32.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.818 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.19 159.52 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.401 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.98 -24.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -27.59 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.758 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -75.06 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.676 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 mm -85.22 -24.21 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.476 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.7 mmt -71.52 -55.91 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -68.04 -24.7 65.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.092 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -36.41 60.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.47 7.71 40.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.7 0.286 . . . . 1.0 111.315 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -54.29 56.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.56 -0.291 . . . . 1.0 111.68 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.79 -5.23 15.79 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.135 1.89 . . . . 1.0 112.164 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.3 m-85 -98.54 -28.62 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.93 -177.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.458 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.057 179.586 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.716 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.24 -174.68 2.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.65 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.69 129.13 17.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.418 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -48.72 -38.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.484 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.99 5.2 22.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.65 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.5 t-20 -118.48 0.31 11.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.586 -0.279 . . . . 1.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.83 127.69 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.77 128.28 36.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.723 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.5 140.67 29.3 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.3 tt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.766 0.317 . . . . 1.0 111.366 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.526 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 11.4 mtp85 -86.9 26.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.574 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 96.78 5.12 58.78 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.043 -0.598 . . . . 1.0 112.181 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -141.97 165.99 25.95 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.147 0.474 . . . . 1.0 110.845 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.79 146.43 22.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -105.77 133.03 51.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.482 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.03 122.76 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -110.35 152.26 26.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.035 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -108.79 165.43 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.7 m -61.81 -36.91 82.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.163 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m -115.24 175.51 5.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.523 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.85 21.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -76.44 -42.2 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.37 -23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.14 -60.05 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 p -61.33 -34.08 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.44 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -55.21 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.789 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -22.01 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.588 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.21 -36.55 39.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -82.32 -28.42 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.3 mt -71.0 -36.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.599 HD23 HG21 ' A' ' 89' ' ' VAL . 17.3 tp -83.26 -33.79 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.657 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.81 -11.51 59.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -70.47 -28.49 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 1.0 110.113 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.08 138.14 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.981 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -59.71 -53.88 61.26 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.304 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 75.2 Cg_endo -79.28 113.9 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.077 1.851 . . . . 1.0 111.856 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.17 -177.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 121.826 1.684 . . . . 1.0 111.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' ' 73' ' ' LEU . 59.2 tp -78.76 122.64 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.835 -0.431 . . . . 1.0 109.835 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.63 116.16 24.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.758 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' ASP . 91.1 mt -115.87 135.81 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.463 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 74.0 m-20 -32.72 104.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.392 0.432 . . . . 1.0 111.104 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.57 -56.7 0.55 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -173.9 177.88 2.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 1.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -68.57 142.55 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.18 134.46 62.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.661 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.97 161.83 12.63 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.599 HG21 HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -114.99 141.98 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.682 0.277 . . . . 1.0 110.5 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.57 160.77 39.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.94 172.88 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.881 0.372 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -173.79 27.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.614 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.75 144.45 23.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.444 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.61 165.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.3 tt -148.28 127.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.503 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.1 mt -86.32 150.64 24.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.775 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -131.72 149.78 52.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.348 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.6 t30 71.0 56.72 0.21 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.067 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mm -99.02 126.44 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 20' ' ' HIS . . . -61.51 122.63 72.15 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.201 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HA ' HD21 ' A' ' 52' ' ' ASN . 75.2 Cg_exo -44.85 -10.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.958 1.772 . . . . 1.0 112.624 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 18' ' ' ALA . 53.6 t-80 -96.51 16.92 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 111.291 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -87.43 152.42 22.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.351 . . . . 1.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.33 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.394 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.06 -24.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.616 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -46.85 82.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.688 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 m -72.22 -59.36 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.89 -27.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 36' ' ' LEU . 6.7 mmm -77.33 -58.5 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.793 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -59.16 -24.27 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.932 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -32.08 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.24 7.43 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.948 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -52.55 60.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.694 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.06 -3.08 13.14 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.176 1.918 . . . . 1.0 112.382 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.4 m-85 -96.92 -28.09 14.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.829 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.9 -170.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.48 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.497 ' C ' HD23 ' A' ' 36' ' ' LEU . 37.8 t -108.63 119.4 39.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.235 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -107.42 164.37 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.529 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.23 130.99 19.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.544 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 38' ' ' VAL . 4.7 t -48.46 -40.34 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.402 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -81.58 2.64 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.591 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 2.01 13.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.624 -0.262 . . . . 1.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 HG23 ' A' ' 58' ' ' VAL . 8.4 pt -131.23 137.3 55.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.657 0.265 . . . . 1.0 110.378 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.0 117.2 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.44 106.9 18.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.84 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.2 tt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.525 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.2 p30 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.723 0.296 . . . . 1.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 26.6 mtp180 -83.0 26.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.542 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 96.56 4.75 59.21 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 121.071 -0.585 . . . . 1.0 111.696 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -136.33 167.46 21.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 1.0 110.603 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -154.94 133.93 12.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.25 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.54 135.89 41.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.69 HG23 HG22 ' A' ' 41' ' ' ILE . 3.8 p -142.61 135.06 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.76 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.49 148.24 42.81 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -106.38 165.88 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.081 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.2 t -63.99 -36.0 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.245 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -123.41 -177.81 3.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.757 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.87 -48.87 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.881 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.17 -40.05 88.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.902 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.95 -40.69 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -56.78 17.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -60.89 -39.92 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -55.24 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.17 -25.11 65.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 1.0 110.166 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD2' ' OE1' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -80.23 -37.11 33.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.22 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.74 -27.33 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.64 -42.0 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 89' ' ' VAL . 5.8 tp -76.92 -32.08 57.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.814 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.407 ' OE1' ' CD2' ' A' ' 70' ' ' LEU . 24.8 mt-30 -85.05 -10.55 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.97 65.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 1.0 109.955 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.72 137.74 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.993 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -56.49 29.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.044 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.9 Cg_endo -76.39 114.49 3.89 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.087 1.858 . . . . 1.0 111.883 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 78' ' ' PRO . 53.1 Cg_exo -47.81 -177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.83 1.687 . . . . 1.0 111.828 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.72 120.93 24.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.664 -0.414 . . . . 1.0 109.933 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -122.26 117.42 26.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.853 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.5 mt -118.6 135.43 59.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.447 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 10.2 m-20 -31.7 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.473 0.483 . . . . 1.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.1 -57.46 0.52 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.08 -177.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 1.0 110.604 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -71.79 139.27 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -116.51 133.62 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.47 174.15 15.54 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.66 -0.576 . . . . 1.0 111.66 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG21 HD23 ' A' ' 73' ' ' LEU . 10.7 t -132.28 140.15 48.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.359 . . . . 1.0 110.471 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.02 157.87 44.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.626 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -76.94 172.93 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 18.6 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -168.81 30.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -152.76 138.87 18.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.245 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -106.78 158.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.229 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.448 ' C ' HD23 ' A' ' 14' ' ' LEU . 6.9 tt -135.5 138.53 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.601 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -99.3 133.52 43.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.172 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -121.34 153.21 38.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.843 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.01 56.34 3.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.4 153.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.617 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -85.74 160.26 53.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 65.2 Cg_endo -74.73 -0.72 10.2 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.681 2.254 . . . . 1.0 112.433 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.74 20.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.135 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -88.03 138.4 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.727 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.1 142.45 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.462 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -52.76 -23.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.87 -46.5 84.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -70.46 -47.43 60.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.599 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.36 -27.81 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.42 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.5 mmt -74.52 -58.26 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.654 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -66.54 -24.19 66.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.38 -32.99 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.258 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -103.5 8.12 37.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -52.76 65.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.464 -0.335 . . . . 1.0 111.764 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.75 -3.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.147 1.898 . . . . 1.0 112.396 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -103.61 -27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.961 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.14 -178.1 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.654 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -118.81 127.55 53.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.56 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.01 129.54 17.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.464 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.29 -39.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 1.0 111.464 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -81.84 -0.54 43.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.687 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -112.25 0.71 15.85 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.66 -0.246 . . . . 1.0 111.178 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 58' ' ' VAL . 15.4 pt -123.51 138.51 53.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 1.0 110.643 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -132.01 114.61 14.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 100.64 11.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.054 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.686 ' O ' HG23 ' A' ' 44' ' ' ILE . 5.9 tt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.239 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.821 0.344 . . . . 1.0 111.048 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -86.58 36.06 0.69 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 37.39 14.73 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.41 159.56 33.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 1.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB3' HD12 ' A' ' 14' ' ' LEU . . . -157.86 152.5 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.568 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 3.1 m-85 -124.62 129.74 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.345 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.62 139.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.688 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -124.0 152.5 42.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.125 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.75 164.87 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.07 86.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.102 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -118.62 176.18 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -29.21 23.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.753 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mtm -75.53 -45.78 36.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -34.35 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.572 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -58.24 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.546 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -60.25 -38.93 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.306 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.8 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.2 -28.56 62.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.338 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -38.1 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.585 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.72 -30.38 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 mt -68.91 -42.38 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.606 HD21 HD22 ' A' ' 80' ' ' LEU . 4.4 tp -77.16 -35.52 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.672 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -81.65 -7.76 59.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.409 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.89 -26.33 61.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.463 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.23 136.61 56.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.47 -57.6 10.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.57 -0.452 . . . . 1.0 110.594 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.42 148.62 23.74 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.922 1.748 . . . . 1.0 111.407 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.64 165.56 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.022 1.815 . . . . 1.0 111.485 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.606 HD22 HD21 ' A' ' 73' ' ' LEU . 61.4 tp -61.51 115.86 4.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.6 tmtt? -114.36 115.77 27.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.018 0.437 . . . . 1.0 111.242 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' ASP . 86.5 mt -116.88 136.43 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.523 -0.762 . . . . 1.0 109.158 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ILE . 1.3 m-20 -33.06 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.423 . . . . 1.0 110.799 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.62 -54.84 0.56 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -177.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -70.3 142.51 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -123.22 136.92 58.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.48 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.1 161.33 13.49 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.291 -0.724 . . . . 1.0 111.291 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.72 137.91 54.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.693 0.282 . . . . 1.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.19 162.83 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 21.0 m-85 -74.93 172.78 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.55 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.662 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.4 ttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.0 0.428 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -165.49 30.36 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.484 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.4 m -152.79 138.1 17.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.36 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.592 HD11 ' HB1' ' A' ' 66' ' ' ALA . 25.8 mm -106.98 160.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.342 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 12' ' ' ILE . 5.1 tt -142.42 122.64 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.04 146.2 35.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.568 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -125.71 148.49 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 87' ' ' ILE . 55.9 t30 70.51 59.49 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.358 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 87' ' ' ILE . 34.6 mm -98.05 136.93 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.355 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.89 159.52 85.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.4 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.5 Cg_endo -72.07 0.2 7.59 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.587 2.192 . . . . 1.0 112.171 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -115.33 29.57 7.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.677 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -87.45 140.11 29.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.97 142.3 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -21.49 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.9 -60.73 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -63.85 -57.17 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -45.04 -31.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.701 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.3 mmm -78.1 -58.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 1.0 110.739 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -61.07 -24.34 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.984 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.83 -32.71 65.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.956 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.17 7.56 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -52.7 61.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.66 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.1 -2.73 12.81 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.159 1.906 . . . . 1.0 112.359 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.47 -27.07 14.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.49 -170.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 1.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -108.21 123.66 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.34 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.48 171.35 7.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.602 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.09 128.24 16.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.339 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.8 t -49.54 -39.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.37 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.3 1.63 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.578 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.9 t-20 -114.28 1.65 14.54 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 41' ' ' ILE . 4.8 pt -135.17 127.55 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 1.0 110.517 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -132.74 130.09 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.698 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -93.31 137.68 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.434 . . . . 1.0 109.927 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.437 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.857 0.361 . . . . 1.0 110.953 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -86.45 24.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 1.0 110.75 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 91.61 29.79 11.55 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.401 -0.679 . . . . 1.0 111.401 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 58.7 m-85 -156.77 147.0 21.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 1.0 111.064 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.11 139.65 30.52 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.34 136.02 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.18 134.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.441 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -120.81 152.78 37.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 69' ' ' LEU . 4.6 mm? -108.98 165.39 11.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.041 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -37.7 82.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.149 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 -177.92 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.513 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.51 -49.35 11.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.764 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttp -58.52 -39.58 80.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.723 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.81 -29.06 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 12' ' ' ILE . . . -70.12 -47.48 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.26 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.475 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.59 -58.36 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.716 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -53.74 -26.59 24.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.319 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -76.4 -37.95 56.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.5 tt0 -82.68 -26.86 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.793 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.2 mt -72.1 -40.7 67.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -78.83 -35.56 43.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -81.67 -9.01 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.153 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -73.73 -24.62 59.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.542 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.58 135.29 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -56.91 14.13 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.795 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.68 140.63 21.21 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.849 1.699 . . . . 1.0 111.702 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.37 166.07 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.028 1.818 . . . . 1.0 111.613 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 87' ' ' ILE . 54.9 tp -63.43 126.83 28.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.692 -0.484 . . . . 1.0 109.692 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 81' ' ' LYS . 1.6 tptt -137.9 122.93 19.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.139 0.495 . . . . 1.0 111.005 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -127.39 148.89 32.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.367 -0.975 . . . . 1.0 108.367 178.292 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.9 m-20 -35.33 102.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.807 0.337 . . . . 1.0 110.672 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.34 -57.88 0.45 Allowed Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.793 -0.717 . . . . 1.0 111.898 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.06 -174.77 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.784 -0.366 . . . . 1.0 111.064 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -73.98 142.5 45.83 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.507 HG21 HD23 ' A' ' 80' ' ' LEU . 3.2 mm -123.89 135.52 63.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.109 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.17 167.39 12.62 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.304 -0.719 . . . . 1.0 111.304 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.424 HG12 HD12 ' A' ' 70' ' ' LEU . 1.4 t -121.78 138.2 52.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.708 0.29 . . . . 1.0 110.429 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.69 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -75.17 169.13 18.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.631 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.1 ttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.957 0.408 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -175.76 36.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.46 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -152.77 142.16 21.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.478 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.7 140.32 27.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 57' ' ' PHE . 3.6 mm -115.87 112.06 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.345 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.5 mt -78.16 138.2 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.297 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.1 ttm180 -123.06 146.59 47.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.468 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' O ' HD13 ' A' ' 87' ' ' ILE . 41.1 t30 77.33 52.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.193 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 mm -95.59 134.77 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.0 110.387 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -69.72 158.84 86.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.261 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.29 7.11 2.3 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.47 2.113 . . . . 1.0 112.206 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 69.2 t60 -123.45 29.74 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -87.36 145.63 26.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.806 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.08 142.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.336 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.1 t -52.09 -23.6 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.646 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -35.59 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -74.48 -33.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.06 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -85.02 -24.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.834 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.0 mmm -73.89 -57.13 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.668 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.0 m -64.57 -24.45 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.67 -32.42 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -100.24 7.29 44.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.915 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -52.64 61.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.66 -3.48 13.62 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.061 1.841 . . . . 1.0 112.309 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 73' ' ' LEU . 71.9 m-85 -94.78 -28.81 15.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.56 -169.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.503 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.63 123.21 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.303 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.51 172.66 6.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.429 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.0 127.99 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.319 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.3 t -49.37 -39.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.41 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.87 2.48 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.541 -0.299 . . . . 1.0 111.393 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.6 t-20 -114.43 1.51 14.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.722 -0.217 . . . . 1.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 5.8 pt -134.99 128.65 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.274 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.92 137.11 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.86 138.64 37.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.888 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.413 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.79 0.329 . . . . 1.0 111.055 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -90.74 34.28 0.91 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 81.55 25.32 54.23 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.278 -0.729 . . . . 1.0 111.278 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 81.9 m-85 -155.65 146.85 22.57 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.004 0.43 . . . . 1.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.66 131.32 22.6 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.374 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 13' ' ' ILE . 11.0 m-85 -98.03 137.04 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 1.6 p -142.48 128.04 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -113.42 151.62 31.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.271 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.58 166.51 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.222 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.116 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -129.86 -177.97 4.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.14 -48.94 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.667 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 ttt -54.65 -39.38 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.48 -29.97 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.576 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 -52.8 16.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.539 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 p -61.7 -36.14 80.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -59.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -51.43 -29.83 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.351 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -36.97 61.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.68 -28.61 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 1.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.36 -37.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.736 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.06 -31.76 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.752 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.14 -12.3 57.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.486 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -69.92 -27.05 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 1.0 110.275 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.5 mt -73.25 137.09 44.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.067 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -56.12 31.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.257 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.8 114.11 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.176 1.917 . . . . 1.0 112.059 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.1 Cg_exo -48.75 -176.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.777 1.651 . . . . 1.0 111.892 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 87' ' ' ILE . 55.6 tp -76.14 122.46 24.34 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -119.38 122.14 41.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.866 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -125.59 131.55 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.025 -0.731 . . . . 1.0 109.025 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 65.5 m-20 -33.66 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.341 0.401 . . . . 1.0 110.858 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -45.18 0.86 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.943 -0.646 . . . . 1.0 111.626 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 pttt 175.34 -175.9 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.796 0.298 . . . . 1.0 110.876 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.37 141.43 43.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 80' ' ' LEU . 3.4 mm -120.75 137.39 54.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.7 172.41 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 73' ' ' LEU . 4.3 t -127.7 141.35 46.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 1.0 110.362 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.75 157.11 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.64 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.3 m-85 -76.92 173.08 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.387 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.555 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 1.0 110.496 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.28 23.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.95 133.86 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 pt -106.75 143.4 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.409 ' C ' HD23 ' A' ' 14' ' ' LEU . 4.5 tt -116.68 143.96 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.558 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -100.98 151.74 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.424 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -133.83 149.42 51.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.406 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.2 t30 66.01 59.91 0.68 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -102.49 120.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -62.73 160.22 37.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.352 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.8 Cg_endo -73.35 2.92 5.15 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.555 2.17 . . . . 1.0 112.257 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.513 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 1.7 t60 -107.51 14.26 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.005 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -87.33 139.16 30.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 151.54 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.449 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.76 -24.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -45.35 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -71.87 -42.31 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.549 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.4 -24.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.435 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.8 mmt -74.57 -57.85 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.662 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -69.19 -24.27 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.54 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.17 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.7 mt -101.3 7.48 42.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.041 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.92 58.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.635 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.74 -4.63 15.18 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.002 1.801 . . . . 1.0 112.215 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.9 m-85 -99.84 -26.81 13.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.94 -179.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.47 ' C ' HD23 ' A' ' 36' ' ' LEU . 1.4 t -113.08 128.58 56.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.468 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.33 -176.16 2.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.347 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.86 129.63 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -48.39 -39.79 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.507 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -82.13 1.98 33.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.652 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -115.56 1.09 13.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.647 -0.251 . . . . 1.0 110.998 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.429 HG22 HG12 ' A' ' 58' ' ' VAL . 10.0 pt -127.52 135.0 64.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.89 0.376 . . . . 1.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 110.92 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.8 tt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 1.0 111.338 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -98.31 45.8 1.01 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.975 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.7 13.42 82.43 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.03 157.27 40.26 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.989 0.423 . . . . 1.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.16 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 2.2 m-85 -125.78 129.73 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.72 128.74 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.555 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -116.85 152.58 34.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.71 165.91 11.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.049 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.0 p -66.77 -35.3 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.289 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -114.66 173.86 6.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.646 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.99 21.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.671 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -23.09 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.662 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.91 -14.44 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.85 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 p -58.88 -36.34 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.382 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -56.42 22.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.09 -25.75 67.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.291 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -39.06 31.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.57 -26.82 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 1.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.2 -41.35 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 89' ' ' VAL . 5.2 tp -77.69 -33.0 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.733 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.19 -10.82 57.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -69.81 -29.13 66.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 1.0 109.965 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.36 140.11 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.005 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -57.3 25.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.106 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.8 Cg_endo -75.96 114.36 3.91 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.156 1.904 . . . . 1.0 111.975 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.8 Cg_exo -48.11 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.811 1.674 . . . . 1.0 112.029 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.16 124.93 29.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.35 120.85 33.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.748 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -120.91 133.69 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.334 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' ILE . 28.0 m-20 -31.39 104.03 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.443 0.465 . . . . 1.0 111.135 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -57.61 0.53 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.86 179.46 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.724 0.297 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 140.95 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -117.47 137.69 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.624 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.02 171.02 14.05 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.265 -0.734 . . . . 1.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 73' ' ' LEU . 4.0 t -130.27 140.15 49.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 1.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.43 158.73 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.1 163.2 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.448 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.576 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.514 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.956 0.408 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.09 26.82 0.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.391 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -152.66 145.48 24.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.157 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.88 168.16 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.545 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.26 136.89 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.362 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.21 146.89 24.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -127.81 147.96 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.164 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 73.09 54.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.183 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.424 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 35.9 mm -95.47 140.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.286 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -76.68 162.94 68.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.829 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.43 1.38 6.86 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.812 2.342 . . . . 1.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.8 t-80 -116.0 29.76 7.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.913 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 1.8 m -87.39 139.2 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.18 158.71 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.44 -22.37 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -68.71 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.706 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 m -65.86 -52.44 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.68 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.6 -24.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.428 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.9 mmt -77.45 -57.99 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.5 m -67.06 -24.17 65.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.955 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.1 -34.78 64.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.248 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -102.08 7.49 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.97 57.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.501 -0.318 . . . . 1.0 111.576 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.98 -5.13 15.63 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.131 1.887 . . . . 1.0 112.225 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.25 -27.22 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.68 -179.25 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.536 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -115.85 129.74 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.379 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.742 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.75 -175.59 2.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.484 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.84 128.82 17.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.23 -39.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.392 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.48 4.37 21.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.464 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.2 t-20 -117.65 1.4 12.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.21 129.69 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -132.71 129.65 39.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.4 137.22 32.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 44' ' ' ILE . 7.4 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.2 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.707 0.289 . . . . 1.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -84.05 27.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.901 0.382 . . . . 1.0 110.593 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 87.52 31.68 15.46 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 73.7 m-85 -158.74 147.63 18.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 1.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.14 146.77 28.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.468 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.52 139.08 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 58' ' ' VAL . 3.8 p -142.54 129.05 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -117.75 151.98 36.2 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.069 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.83 165.36 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.075 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -64.34 -36.18 83.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -117.32 172.76 7.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.674 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.33 -31.1 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -22.73 48.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -27.95 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.34 -58.93 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -58.52 -37.85 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -57.76 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.61 -28.41 63.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -35.4 55.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.75 -28.74 30.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.8 mt -74.81 -38.31 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.808 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -80.4 -31.46 37.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.789 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -83.58 -12.9 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.508 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -26.12 64.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.854 0.359 . . . . 1.0 110.295 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.35 139.87 46.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.592 . . . . 1.0 109.843 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.48 ' CD2' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -60.86 -53.04 67.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 120.891 -0.323 . . . . 1.0 111.274 -179.435 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HD3' ' CD2' ' A' ' 77' ' ' HIS . 73.0 Cg_endo -77.54 113.67 3.56 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.958 1.772 . . . . 1.0 111.658 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.9 Cg_exo -49.07 -176.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.743 1.629 . . . . 1.0 111.951 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.49 120.95 25.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.911 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -121.28 116.59 25.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.83 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -116.61 135.81 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.489 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 5.7 m-20 -33.14 104.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.425 0.453 . . . . 1.0 111.002 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.64 -56.74 0.54 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -173.91 -178.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.811 0.339 . . . . 1.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.25 141.02 50.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.6 mm -119.06 135.2 60.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.75 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.25 172.66 14.43 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 73' ' ' LEU . 3.4 t -128.51 140.47 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.63 151.31 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.505 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 9.0 m-85 -71.37 172.83 8.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.94 0.4 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -164.3 26.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.602 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -152.74 137.82 17.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.22 159.75 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.27 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.521 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.8 tt -137.65 141.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.087 0.47 . . . . 1.0 110.627 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -96.75 153.55 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.189 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.22 146.64 50.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.455 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.3 t30 60.84 68.9 0.71 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.819 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 3.6 mm -98.2 146.54 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.255 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -68.37 160.9 73.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.843 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 60.8 Cg_endo -74.51 -10.15 21.89 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.733 2.289 . . . . 1.0 112.461 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 2.3 t-80 -104.54 23.52 13.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.83 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 91.1 m -87.25 131.4 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.13 -177.42 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.337 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.33 -25.21 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.63 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.45 -56.46 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -48.24 80.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.715 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -50.4 -38.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.4 mmt -69.67 -57.88 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.423 . . . . 1.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.318 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.38 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.732 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.6 mt -103.41 8.07 38.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 1.0 111.357 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.7 61.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.45 -3.83 13.68 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.2 1.933 . . . . 1.0 112.371 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 91.9 m-85 -99.8 -27.63 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.068 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.19 -179.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 1.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.509 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -112.81 130.91 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.432 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -113.18 -175.18 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.467 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -143.62 128.66 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.203 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -48.82 -39.07 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -82.12 4.15 24.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.58 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -118.72 1.89 11.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.571 -0.286 . . . . 1.0 110.958 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 130.84 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.838 0.351 . . . . 1.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.6 115.15 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -91.2 111.25 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.783 0.325 . . . . 1.0 111.388 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -94.49 33.8 1.38 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.17 44.82 9.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 82.9 m-85 -162.05 146.72 12.66 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.676 0.274 . . . . 1.0 110.767 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.9 138.06 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.649 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.2 m-85 -107.37 133.07 52.44 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.69 124.12 19.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.551 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 60' ' ' LEU . 58.3 tt0 -110.2 152.6 25.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.123 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.6 mm? -110.59 165.24 11.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.959 -0.386 . . . . 1.0 109.959 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -65.05 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.314 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 165.88 11.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.27 -22.15 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -93.47 -1.48 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -7.64 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 1.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.41 -55.98 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.1 p -61.64 -33.93 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.475 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.48 -57.36 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.3 -26.53 65.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 89' ' ' VAL . 0.8 OUTLIER -76.65 -36.91 57.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.42 -33.56 28.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.42 -40.76 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.576 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.83 -34.8 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.472 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.458 HE22 HD21 ' A' ' 70' ' ' LEU . 78.7 mt-30 -77.84 -9.74 59.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.57 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.47 -30.05 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 1.0 110.034 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.94 135.55 53.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.601 . . . . 1.0 109.637 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.58 -51.63 65.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.763 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' PRO . 87.2 Cg_endo -84.56 113.1 1.64 Allowed 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.32 2.013 . . . . 1.0 111.515 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.8 Cg_exo -47.83 -178.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.846 1.697 . . . . 1.0 111.757 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.63 116.98 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.102 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 2.0 tmtt? -108.69 104.89 14.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.832 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 83' ' ' ASP . 96.4 mt -104.22 136.96 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.539 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 82' ' ' ILE . 2.0 m-20 -30.31 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.524 0.515 . . . . 1.0 111.228 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.59 -61.38 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.78 178.45 4.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.868 0.366 . . . . 1.0 110.883 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t -72.84 142.86 47.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -110.42 133.9 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.375 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.42 164.12 12.35 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.397 -0.681 . . . . 1.0 111.397 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -117.29 138.1 49.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.741 0.305 . . . . 1.0 110.458 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.63 159.97 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.68 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.29 173.0 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.752 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.4 t0 -172.68 32.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 m -152.8 127.85 9.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.71 134.46 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.418 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' CE2' ' A' ' 57' ' ' PHE . 79.8 mt -111.21 132.26 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.431 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.25 143.28 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.6 ttm180 -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' O ' HD13 ' A' ' 87' ' ' ILE . 34.5 t30 79.18 53.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.906 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.8 130.36 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.789 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -70.87 159.42 85.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.133 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.8 Cg_endo -72.06 1.6 5.77 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.54 2.16 . . . . 1.0 112.196 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -110.54 23.17 14.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -87.51 141.38 28.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.3 40.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.348 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HD23 ' A' ' 43' ' ' LEU . 15.4 t -53.79 -22.33 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.62 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.47 -52.39 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.759 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -68.71 -58.4 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.86 -27.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.639 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.847 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.2 mmm -77.0 -58.25 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -62.51 -24.36 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.41 -32.18 66.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.949 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.57 7.47 42.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.108 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -53.27 57.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.647 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.55 -3.44 13.62 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.177 1.918 . . . . 1.0 112.338 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.8 m-85 -96.69 -26.98 14.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.22 -170.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -108.03 123.88 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.304 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.06 171.4 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.661 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.79 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.44 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.09 -38.99 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.421 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.16 4.69 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.476 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.659 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.2 t-20 -118.55 1.95 11.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.6 pt -134.2 130.62 54.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.916 0.388 . . . . 1.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.56 133.35 43.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.693 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.509 HD23 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -101.3 102.08 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.991 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.5 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.199 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.821 0.343 . . . . 1.0 111.311 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.78 28.37 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.437 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 84.67 24.12 47.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CG ' ' C ' ' A' ' 54' ' ' GLY . 43.8 m-85 -155.18 146.82 23.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.415 . . . . 1.0 110.773 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.64 131.51 37.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.237 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 13' ' ' ILE . 8.6 m-85 -99.48 127.23 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.407 HG12 HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -135.79 137.78 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.335 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -119.74 152.48 37.13 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.22 166.11 10.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.111 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -60.62 -37.4 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.131 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 5.6 m -139.36 176.82 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.737 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.01 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.711 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -40.51 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.684 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.96 -45.23 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.719 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.73 -53.19 59.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.2 p -59.8 -39.49 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -60.02 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -49.94 -29.84 9.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.414 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -75.79 -36.69 59.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.258 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -82.85 -25.5 32.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.3 mt -77.21 -39.66 28.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.15 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.12 -30.83 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.41 -13.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -70.17 -26.15 63.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.996 0.427 . . . . 1.0 110.059 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.88 138.4 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.98 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -56.7 26.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.059 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.58 114.18 3.91 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.078 1.852 . . . . 1.0 111.971 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.8 Cg_exo -48.26 -177.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.854 1.703 . . . . 1.0 111.922 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.1 tp -77.97 122.24 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -117.03 131.94 56.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.179 0.514 . . . . 1.0 110.906 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -135.55 134.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.439 -0.8 . . . . 1.0 108.991 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -33.86 104.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.448 0.467 . . . . 1.0 110.866 -179.346 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.9 -48.64 0.78 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.83 -0.7 . . . . 1.0 111.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 178.93 -176.31 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.458 . . . . 1.0 111.122 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t -74.73 142.99 44.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.501 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.441 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.37 136.59 56.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.888 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.4 173.82 15.69 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.392 -0.683 . . . . 1.0 111.392 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 73' ' ' LEU . 10.2 t -130.28 141.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.736 0.303 . . . . 1.0 110.59 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.0 163.87 32.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.681 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.414 ' CE2' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -83.39 173.12 11.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.52 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.531 179.799 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 9' ' ' MET . 7.0 tmm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.072 0.463 . . . . 1.0 110.716 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -174.6 30.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.523 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.2 m -152.91 132.29 12.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.395 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.85 127.42 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.82 144.46 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.673 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.31 148.83 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -129.68 150.93 50.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.424 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 87' ' ' ILE . 63.0 t30 68.81 55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 1.0 111.129 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.9 mm -95.74 134.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -73.0 162.46 74.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.78 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 Cg_endo -72.13 -3.97 14.3 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.768 2.312 . . . . 1.0 112.252 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.16 22.87 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.824 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -87.35 129.94 34.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.667 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.17 142.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.2 t -45.31 -24.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.573 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -67.68 -44.88 76.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.715 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 m -71.15 -50.33 34.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.701 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.22 -24.58 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.8 mmt -74.6 -57.67 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.9 m -66.92 -24.27 66.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.024 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.435 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.85 7.79 41.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.678 0.275 . . . . 1.0 111.092 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.24 62.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.721 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.42 -4.01 14.25 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.157 1.905 . . . . 1.0 112.231 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.0 m-85 -102.06 -27.68 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.05 -177.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.727 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.5 t -116.11 131.4 56.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.329 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.75 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.79 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.456 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.08 129.87 18.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.468 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.05 -39.83 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.347 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.07 2.73 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.481 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.0 t-20 -116.65 1.75 12.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.839 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.91 129.16 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.877 0.37 . . . . 1.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -132.5 120.46 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.03 139.23 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.009 0.433 . . . . 1.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.775 0.322 . . . . 1.0 111.059 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 24.3 mtt180 -91.43 33.3 1.0 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.087 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 81.48 25.27 54.64 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 32.3 m-85 -147.95 147.89 30.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 1.0 110.74 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.98 136.64 17.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.385 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.84 130.84 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.78 123.84 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -111.59 152.77 27.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.278 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.27 166.52 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.202 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -58.58 -37.2 75.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.26 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -127.94 -178.87 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.712 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.91 -33.53 21.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -25.19 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.55 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.64 -13.76 61.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.646 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.99 -58.98 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -36.76 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.354 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.93 -25.48 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -79.74 -38.47 33.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.281 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.84 -26.29 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.72 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.62 -40.53 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.054 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -78.75 -31.62 46.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -85.9 -12.17 51.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.749 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.18 -26.45 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.017 0.437 . . . . 1.0 110.041 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.54 138.29 50.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.009 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -56.49 28.38 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.7 Cg_endo -76.35 114.27 3.85 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.147 1.898 . . . . 1.0 111.944 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.91 -177.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.848 1.699 . . . . 1.0 112.025 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.1 tp -79.0 120.4 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -121.81 116.8 25.11 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.824 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -116.43 133.71 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.34 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.3 m-20 -32.67 104.04 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.425 0.453 . . . . 1.0 110.974 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.38 -54.23 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -179.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 1.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 t -71.86 142.57 49.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.716 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -121.03 135.98 59.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.23 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.303 -0.719 . . . . 1.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 73' ' ' LEU . 7.9 t -131.88 141.28 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.66 0.267 . . . . 1.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -143.06 151.64 41.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.664 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 70' ' ' LEU . 8.4 m-85 -71.06 173.02 8.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.476 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.545 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.434 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 4.7 mtt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.866 0.365 . . . . 1.0 110.558 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.5 t0 -172.12 24.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 123.13 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.61 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.31 136.36 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.167 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.84 120.01 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.529 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.27 133.45 37.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.5 ttm180 -117.27 146.85 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.423 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.737 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 40.9 t30 80.19 53.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.8 mm -96.6 124.82 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.317 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.26 161.29 79.16 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.416 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 41.6 Cg_endo -70.34 4.05 2.67 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.593 2.195 . . . . 1.0 112.227 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -116.19 27.43 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.805 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.29 137.91 31.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 1.0 110.988 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.14 142.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.479 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.5 t -54.86 -21.64 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.586 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -40.13 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.64 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.0 m -66.67 -56.3 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -50.93 -46.21 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.647 ' HA ' HD21 ' A' ' 36' ' ' LEU . 5.4 mtt -49.84 -59.15 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.9 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -34.85 69.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 34' ' ' ALA . 49.0 mt -101.08 7.34 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.013 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.93 59.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.645 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.06 -4.74 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.117 1.878 . . . . 1.0 112.211 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.9 m-85 -103.21 -26.5 12.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 176.06 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.44 83.16 7.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.616 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -63.15 -174.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.508 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -141.15 127.7 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.54 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' CE ' ' A' ' 27' ' ' MET . 2.2 t -49.44 -39.32 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.35 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -80.29 2.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.542 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 1.88 13.49 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.665 0.269 . . . . 1.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -138.44 126.37 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -132.87 119.63 20.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.791 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.87 108.01 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.4 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.227 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 18' ' ' ALA . 2.5 p30 . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 120.74 0.305 . . . . 1.0 111.784 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 4.6 ttp180 -78.76 24.18 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.326 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 93.89 3.21 64.18 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.139 -0.553 . . . . 1.0 111.88 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -153.04 166.7 31.62 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 122.494 -0.415 . . . . 1.0 110.74 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.18 142.16 16.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.111 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.75 140.7 29.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.888 0.375 . . . . 1.0 110.677 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.43 128.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.345 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.411 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 11.4 tt0 -115.17 149.59 37.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.395 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -107.15 166.69 10.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.166 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -58.64 -37.42 75.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.269 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 49.3 m -136.73 172.86 12.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' MET . . . -75.69 -28.93 58.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.648 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -77.15 -21.63 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.618 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.02 -19.03 59.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.15 -54.75 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -36.77 83.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.74 -54.68 43.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.17 -23.1 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.75 -38.19 26.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.321 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -82.55 -28.98 30.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 1.0 110.16 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mt -74.8 -36.1 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.405 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.2 tp -82.81 -34.31 26.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.645 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -80.62 -12.34 59.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.378 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -28.43 66.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 1.0 110.072 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.98 137.84 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.159 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -56.13 34.87 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.172 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 59.6 Cg_endo -75.84 113.8 3.8 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.133 1.889 . . . . 1.0 112.021 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.55 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.877 1.718 . . . . 1.0 112.022 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 73' ' ' LEU . 38.8 tp -74.53 130.2 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.854 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -127.84 113.84 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 1.0 110.91 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' ASP . 69.4 mt -114.84 135.9 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 62.9 m-20 -32.09 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.4 0.437 . . . . 1.0 111.09 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.91 -56.7 0.55 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.737 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 2.0 pttt -175.43 -179.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 1.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 6.7 t -68.19 142.67 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.3 mm -123.14 140.11 47.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 171.55 13.81 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.22 140.32 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.78 0.324 . . . . 1.0 110.415 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -140.88 163.24 33.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.746 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 8.1 m-85 -82.09 172.95 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.552 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -172.59 27.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.525 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.732 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.3 m -152.67 134.31 14.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.328 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -106.96 159.32 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' A' ' 90' ' ' ASP . 1.9 tt -131.82 144.66 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.49 146.13 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.393 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -128.37 147.61 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.7 t30 67.71 54.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -89.71 132.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.446 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -64.51 158.91 64.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.423 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.0 Cg_endo -72.83 -7.31 20.54 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.485 2.124 . . . . 1.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 46.3 t60 -106.61 22.74 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.874 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -87.51 140.12 29.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.29 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.402 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -23.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.64 -44.46 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.679 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.5 m -69.47 -41.46 76.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.02 -28.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.7 mmt -70.74 -60.28 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -66.77 -24.38 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.004 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -33.75 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.064 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.7 mt -101.74 7.5 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.963 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -53.82 60.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.631 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.65 -5.8 16.36 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.069 1.846 . . . . 1.0 112.193 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 93.1 m-85 -98.15 -27.9 13.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.741 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.12 -177.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.495 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.522 ' C ' HD23 ' A' ' 36' ' ' LEU . 5.8 t -114.14 130.85 56.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.55 -175.11 2.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.57 129.23 18.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -48.85 -39.36 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.459 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -81.88 3.92 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.586 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.75 1.13 12.14 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.608 -0.269 . . . . 1.0 110.809 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -134.47 129.63 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -132.46 105.61 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -89.16 105.56 17.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.142 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.568 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.823 0.344 . . . . 1.0 111.378 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -89.01 36.77 0.82 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.56 30.86 42.97 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.567 -0.613 . . . . 1.0 111.567 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 70.0 m-85 -156.14 147.4 22.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.771 0.32 . . . . 1.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.73 143.6 22.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.24 136.42 45.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.736 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.48 123.0 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -114.99 152.77 31.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 1.0 109.94 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.38 165.95 11.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 p -63.24 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.302 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -122.63 -177.87 3.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.726 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.86 -47.86 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.98 -39.41 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.657 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.53 -29.34 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.3 -56.49 10.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -61.74 -35.97 79.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -55.86 29.23 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.773 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.71 -25.58 67.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.294 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -39.31 28.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.358 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.76 -25.2 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.1 mt -77.61 -38.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.0 tp -80.59 -33.33 36.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.3 -12.19 55.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.596 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -27.84 65.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 1.0 109.944 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.18 138.46 47.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.097 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -57.12 19.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.294 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' PRO . 58.1 Cg_endo -74.34 114.52 4.05 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.053 1.835 . . . . 1.0 111.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.28 -175.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.957 1.771 . . . . 1.0 112.0 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.7 tp -79.15 118.09 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.124 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -119.73 115.94 24.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.671 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' ASP . 78.1 mt -117.55 136.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.729 -0.668 . . . . 1.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' ILE . 16.3 m-20 -31.35 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.533 0.52 . . . . 1.0 110.942 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.11 -56.22 0.55 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -177.85 -177.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 1.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -68.64 142.51 55.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.909 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.2 138.66 51.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.57 169.61 13.0 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.251 -0.74 . . . . 1.0 111.251 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.427 HG21 HD23 ' A' ' 73' ' ' LEU . 12.5 t -130.9 140.21 49.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 1.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -135.63 166.96 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.476 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.64 172.77 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.513 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.71 0.29 . . . . 1.0 110.611 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.04 29.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.59 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -152.59 161.84 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.497 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -122.09 169.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.458 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' OD2' ' A' ' 90' ' ' ASP . 1.5 tt -147.44 138.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.603 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -92.44 142.57 27.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.271 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -128.26 149.53 50.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.684 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.61 56.4 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.797 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.45 147.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.482 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -86.86 160.67 49.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.702 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 61.0 Cg_endo -74.29 -0.29 9.45 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.776 2.317 . . . . 1.0 112.324 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 56.5 t-80 -99.82 15.82 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.218 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 m -87.71 129.41 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -129.01 142.35 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.502 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.1 t -41.84 -34.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -37.14 86.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.703 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' VAL . 22.4 m -73.8 -40.2 63.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.746 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.23 -51.27 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.71 -58.91 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -63.67 -33.87 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.289 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.63 70.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.139 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' ALA . 55.2 mt -102.88 7.31 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 1.0 110.974 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -54.21 55.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 111.681 0.252 . . . . 1.0 111.681 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -77.12 -6.17 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.14 1.894 . . . . 1.0 112.427 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.6 m-85 -100.54 -26.3 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 171.36 138.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.487 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -85.88 74.61 10.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -52.12 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.615 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -137.09 129.51 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.503 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.8 t -51.26 -39.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -80.95 1.87 29.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.433 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.8 t-20 -114.83 1.64 14.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.699 -0.228 . . . . 1.0 111.024 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -135.27 134.73 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.757 0.313 . . . . 1.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -124.85 113.88 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.89 101.03 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.07 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.012 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.362 . . . . 1.0 111.901 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -83.13 29.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 89.88 24.59 29.58 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 92.1 m-85 -158.15 145.56 18.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 1.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.68 144.45 23.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.629 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -106.93 142.24 36.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 p -142.47 138.7 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.761 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -128.65 152.33 48.5 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.302 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.82 167.53 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.068 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.4 p -58.46 -37.58 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -125.78 -178.02 4.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.647 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.17 -42.31 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.704 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -34.0 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.584 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.24 -35.9 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.55 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.533 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -65.35 -31.49 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -58.79 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -48.57 -27.3 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.42 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -35.23 45.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.144 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -82.65 -28.68 30.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.887 0.375 . . . . 1.0 110.322 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.57 -40.4 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.608 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.96 -32.65 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.21 -11.61 57.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.441 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -28.09 66.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 1.0 110.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -72.04 138.55 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.055 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -55.89 39.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.215 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.1 Cg_endo -77.48 114.3 3.69 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.192 1.928 . . . . 1.0 111.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.77 -175.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.916 1.744 . . . . 1.0 111.779 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.37 118.68 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.64 116.33 25.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.739 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.5 mt -115.86 136.17 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.475 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 82' ' ' ILE . 57.1 m-20 -33.49 104.06 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.383 0.427 . . . . 1.0 110.958 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.34 -56.49 0.54 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -174.06 -179.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.741 0.305 . . . . 1.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 t -70.64 142.57 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.636 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.47 134.2 64.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.675 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.79 173.21 14.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.42 -0.672 . . . . 1.0 111.42 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.38 139.54 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 1.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -144.13 158.08 43.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.498 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -74.33 173.06 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.522 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.687 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.23 -145.61 12.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 151.7 21.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 1.0 110.468 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.74 134.55 34.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -83.67 0.91 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 7' ' ' HIS . 5.3 p-80 -155.39 -160.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 6' ' ' HIS . 2.2 m80 -137.34 145.31 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.512 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -156.69 21.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.662 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 8' ' ' HIS . 3.5 mtm 58.69 147.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.62 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 19.9 p-10 -174.01 33.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.689 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.68 143.35 22.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.3 164.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.464 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.515 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -144.73 138.15 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.646 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -95.14 140.85 29.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.102 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -125.49 149.34 48.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.754 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 t30 62.23 59.17 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.69 146.84 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 157.41 80.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.665 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.39 3.38 5.86 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.627 2.218 . . . . 1.0 112.333 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 58.8 t-80 -104.23 12.31 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.999 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -87.56 145.61 26.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.12 176.28 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.436 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.62 -28.0 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.623 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -41.15 70.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.773 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -63.13 -57.31 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.75 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.89 -35.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.788 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.431 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mmt -64.32 -58.88 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 m -68.61 -24.29 64.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 -34.39 66.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.314 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.0 mt -102.45 7.78 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.071 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.42 62.96 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.749 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.21 -4.79 14.61 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.127 1.884 . . . . 1.0 112.388 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.7 m-85 -99.41 -27.02 13.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.975 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 175.75 -179.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.619 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.476 ' C ' HD23 ' A' ' 36' ' ' LEU . 29.2 t -111.86 130.38 55.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.717 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.97 -179.19 3.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.412 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.94 17.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.9 t -48.62 -38.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.55 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.46 5.03 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.687 -0.233 . . . . 1.0 111.605 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.8 t-20 -118.3 0.92 11.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.555 -0.293 . . . . 1.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 pt -132.33 133.1 60.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 1.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -122.15 96.92 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.79 100.74 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.234 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.02 144.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.39 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -120.64 149.09 43.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.482 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -108.9 152.49 24.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.719 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.37 -10.62 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.743 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -80.77 -57.75 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.687 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.49 17.74 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 45.93 28.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.377 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' ASN . 33.9 mt-30 -156.35 164.63 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -34.88 143.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.279 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -87.18 28.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 91.0 29.78 12.23 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.489 -0.645 . . . . 1.0 111.489 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 94.3 m-85 -157.7 146.72 19.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.784 0.326 . . . . 1.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.99 139.83 18.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.471 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 2.2 m-85 -107.97 140.93 40.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.623 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 58' ' ' VAL . 4.3 p -142.94 128.67 16.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.79 152.21 29.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.107 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.46 165.97 11.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.182 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.188 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -127.98 -177.97 4.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.699 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.59 -48.87 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.65 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.1 mtt -57.21 -38.94 74.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.36 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.718 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.97 19.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.0 p -60.84 -37.93 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -55.36 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.756 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.93 -26.56 67.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -80.5 -36.94 32.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.31 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -82.68 -26.61 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.5 mt -76.9 -40.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.741 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 89' ' ' VAL . 5.1 tp -77.99 -33.04 51.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.956 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -84.36 -13.4 52.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -70.86 -26.04 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 1.0 110.115 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.6 137.57 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.802 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -55.93 36.14 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.254 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.8 Cg_endo -78.43 114.09 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.165 1.91 . . . . 1.0 112.052 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.38 -176.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.94 1.76 . . . . 1.0 111.725 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -84.48 120.28 26.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 123.07 18.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.959 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -126.54 153.28 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.51 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -34.51 103.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.928 0.394 . . . . 1.0 110.825 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.49 -62.7 0.44 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.56 -178.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.887 0.375 . . . . 1.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -71.11 143.23 50.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.73 133.8 67.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.694 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.49 174.01 15.44 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.293 -0.723 . . . . 1.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 73' ' ' LEU . 12.7 t -133.17 140.26 47.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.723 0.297 . . . . 1.0 110.417 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.54 161.56 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.616 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 25.8 m-85 -78.87 172.53 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.456 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 114.82 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.486 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -100.45 160.0 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -75.89 120.64 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.573 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.955 -1.021 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.01 -104.07 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 144.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 1.0 110.549 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -163.45 71.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -145.57 96.71 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' HIS . 2.3 p80 -142.28 26.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.673 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -81.71 131.89 35.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -96.22 -3.77 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.84 143.0 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -174.8 31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -152.81 139.07 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.55 163.63 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 2.9 tt -147.31 126.79 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 1.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.5 mt -83.45 144.74 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -126.29 149.35 49.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.485 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 62.15 60.53 1.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -102.38 156.94 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.15 159.9 50.05 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 72.7 Cg_endo -75.55 2.73 6.58 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.596 2.198 . . . . 1.0 112.563 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 20.8 t-80 -106.97 21.13 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.086 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -87.79 139.07 30.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.817 0.341 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.15 142.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.361 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.66 -23.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 1.0 110.707 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -50.99 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.772 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -68.44 -40.87 80.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.811 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.65 -27.31 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.685 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.413 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.5 mmt -74.77 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.736 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -64.51 -24.06 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.077 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 -33.82 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.143 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -102.24 7.84 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -53.54 63.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.728 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -78.06 -4.47 14.4 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.124 1.883 . . . . 1.0 112.16 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.5 -28.47 12.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.965 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.84 -176.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.706 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -118.21 129.86 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.317 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.38 -177.35 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.514 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.19 129.98 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.402 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.87 -39.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.658 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -83.46 4.87 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.9 t-20 -118.33 0.05 11.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 9.6 pt -126.44 141.62 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.734 0.302 . . . . 1.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -132.09 105.04 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.99 114.94 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.82 145.76 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.942 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.1 125.52 23.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 1.0 110.394 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -102.69 160.54 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.5 -1.41 57.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.647 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -86.02 -57.72 2.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.71 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.82 19.92 19.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.991 0.424 . . . . 1.0 110.413 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 4.0 mp0 42.05 29.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -157.72 165.36 35.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -37.24 142.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.462 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -89.41 32.88 0.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 90.86 31.56 9.9 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 74.8 m-85 -155.89 147.03 22.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.915 0.388 . . . . 1.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.23 130.05 17.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.476 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 3.4 m-85 -101.73 135.24 43.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 4.3 p -142.67 138.95 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.955 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -121.4 152.48 38.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.035 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.6 mm? -108.8 165.25 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.118 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -59.85 -37.72 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.046 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 m -124.79 -177.94 4.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.96 -48.82 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ttt -58.58 -42.06 87.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -49.54 -35.19 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.24 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -65.32 -37.95 88.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.352 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -53.97 51.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.786 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -58.99 -23.33 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.327 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -37.28 28.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.76 -28.38 30.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 1.0 110.385 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.29 -42.04 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 89' ' ' VAL . 4.9 tp -76.97 -32.54 57.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.97 -10.32 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 1.0 110.522 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -68.61 -29.89 68.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.03 0.443 . . . . 1.0 109.961 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.5 138.89 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.988 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -56.62 28.56 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.27 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 67.1 Cg_endo -76.65 114.25 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.083 1.856 . . . . 1.0 112.004 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.0 Cg_exo -48.37 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.75 1.633 . . . . 1.0 111.853 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.9 tp -79.3 122.13 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 1.0 109.951 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 121.04 34.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.588 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.0 mt -121.25 135.93 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.654 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.8 m-20 -33.01 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.417 0.448 . . . . 1.0 110.863 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.42 -58.13 0.53 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -172.19 -179.74 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 1.0 110.678 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 140.9 51.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.48 132.19 69.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.684 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.92 173.4 15.55 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG21 HD23 ' A' ' 73' ' ' LEU . 4.8 t -131.41 140.04 49.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.804 0.335 . . . . 1.0 110.614 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.11 159.9 42.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.561 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.73 172.98 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.25 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -101.35 -165.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 p -89.29 78.62 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.974 -1.012 . . . . 1.0 110.591 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.75 27.89 18.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -68.53 -79.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 1.0 110.542 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 6' ' ' HIS . 18.4 t-160 45.86 90.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 2.0 m-70 -60.98 75.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.579 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' HIS . 2.1 m-70 -45.59 147.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.602 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.04 -7.51 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -68.76 158.04 35.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.66 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -64.15 145.99 55.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.458 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -175.42 37.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.876 0.369 . . . . 1.0 110.767 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 139.15 18.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.447 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -106.91 158.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.216 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -138.32 144.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.944 0.402 . . . . 1.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.63 139.07 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.131 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.59 149.65 48.19 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.548 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 56.8 t30 63.65 57.3 1.44 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.976 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.15 156.57 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.311 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -91.74 159.86 37.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.735 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 67.0 Cg_endo -74.98 2.45 6.6 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.734 2.29 . . . . 1.0 112.164 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 78.6 t60 -103.46 20.12 18.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.064 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 m -87.41 137.36 32.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.609 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.39 142.74 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -48.66 -21.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.18 -54.22 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -64.31 -48.99 73.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.735 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -53.07 -31.53 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.82 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.3 mmt -73.15 -58.54 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -24.24 65.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.086 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.87 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.322 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.52 7.86 42.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.072 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -53.21 63.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.812 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -78.16 -3.17 13.19 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.106 1.871 . . . . 1.0 112.172 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 89.4 m-85 -100.53 -26.87 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.818 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.07 -179.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.427 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.15 133.69 53.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.46 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.71 176.25 5.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.532 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.13 129.89 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.5 t -48.39 -39.61 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.554 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.54 4.38 24.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.623 -0.262 . . . . 1.0 111.554 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.32 0.67 12.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.658 -0.246 . . . . 1.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 pt -131.26 134.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 120.739 0.305 . . . . 1.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -123.44 101.5 7.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.01 101.34 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.708 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 44' ' ' ILE . 8.6 tt -59.9 107.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.576 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.67 137.45 34.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.6 163.68 13.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.75 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -90.38 1.35 56.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.548 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -77.01 -57.56 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.537 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.8 22.09 11.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.33 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 42.9 32.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.453 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -155.36 165.86 35.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.343 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.81 144.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.353 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -91.22 32.51 1.03 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.77 24.17 39.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.142 -0.783 . . . . 1.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 96.9 m-85 -158.8 145.58 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 1.0 110.653 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.47 140.63 22.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -107.28 134.34 50.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.13 126.1 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.512 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -112.24 152.4 28.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.133 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -110.08 165.62 11.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.099 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -58.57 -37.84 76.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.15 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -128.37 -178.0 4.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.592 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 -43.15 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.629 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -34.94 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.53 -35.27 77.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -52.87 62.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -62.57 -39.51 93.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -54.96 39.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.4 -24.8 67.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -39.55 27.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.268 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -82.73 -27.1 31.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.885 0.374 . . . . 1.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.48 -38.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.571 HD21 HD22 ' A' ' 80' ' ' LEU . 6.1 tp -80.85 -34.53 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.753 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.83 -10.79 59.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 1.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -70.44 -24.57 62.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.41 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.01 134.96 50.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -57.06 11.08 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.746 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -79.08 150.21 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.985 1.79 . . . . 1.0 111.455 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.96 166.75 29.19 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.065 1.843 . . . . 1.0 111.422 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 HD21 ' A' ' 73' ' ' LEU . 60.4 tp -61.0 122.54 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.527 -0.469 . . . . 1.0 109.878 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -116.31 131.09 57.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.225 0.536 . . . . 1.0 110.806 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASP . 83.2 mt -135.26 133.9 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.396 -0.82 . . . . 1.0 108.871 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' ILE . 43.3 m-20 -34.38 103.88 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.322 0.389 . . . . 1.0 110.738 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.28 -48.94 0.71 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.027 -0.606 . . . . 1.0 111.793 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.548 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER 177.39 -175.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.887 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.8 t -74.0 141.16 45.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.657 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.51 135.23 61.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.89 173.34 15.11 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.428 -0.669 . . . . 1.0 111.428 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 73' ' ' LEU . 14.4 t -132.6 140.32 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 1.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.92 160.88 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.499 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.1 m-85 -78.38 173.0 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.335 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.13 118.61 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.575 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -150.86 122.98 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.73 104.9 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.528 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.46 77.72 0.05 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.42 153.36 18.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 1.0 110.551 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 2.9 p80 -144.19 -94.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.528 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 37.2 m80 -82.1 -170.6 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.14 -3.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 3.3 t60 -84.68 40.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -149.03 125.03 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 ttp -45.27 113.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -158.98 27.28 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.485 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.83 134.61 14.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pt -106.84 158.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.43 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.56 140.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.21 143.9 26.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.419 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -122.41 147.4 46.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.615 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' O ' HD13 ' A' ' 87' ' ' ILE . 46.7 t30 75.84 55.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.04 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -100.3 133.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 1.0 110.845 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -72.27 161.11 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.131 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 56.9 Cg_endo -72.45 -5.13 16.56 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.559 2.173 . . . . 1.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 19.5 t-80 -104.4 21.99 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.934 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.84 143.26 27.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.935 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.17 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.615 HG22 HD23 ' A' ' 43' ' ' LEU . 9.1 t -48.36 -24.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.555 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -34.34 62.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 m -73.84 -32.31 63.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -84.9 -24.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.8 mmm -70.47 -57.16 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.695 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -64.94 -24.64 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.927 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.37 65.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.962 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.2 mt -101.77 7.57 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -53.22 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.792 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.07 -5.56 15.24 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.186 1.924 . . . . 1.0 112.424 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -93.45 -26.98 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.69 -171.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.495 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.5 123.23 48.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.45 173.16 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.433 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.25 128.44 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -49.03 -38.75 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.493 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -82.37 4.98 21.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.583 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.9 0.83 12.0 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.878 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 6.1 pt -133.5 130.5 56.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.5 142.53 49.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.89 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD23 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -108.43 110.31 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.75 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt -60.15 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.773 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.45 123.42 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.5 160.39 16.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.484 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -87.16 8.78 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.668 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.03 1.9 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 1.0 110.541 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 60.0 19.76 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.139 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 2.9 pt20 -175.03 176.99 2.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.073 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -38.28 129.77 1.3 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 1.0 111.063 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -80.83 25.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.146 0.498 . . . . 1.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 92.11 26.33 19.21 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.297 -0.721 . . . . 1.0 111.297 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' GLY . 45.0 m-85 -153.4 146.26 24.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 1.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.68 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.96 132.02 46.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.765 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -112.69 152.66 28.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.152 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 69' ' ' LEU . 4.4 mm? -108.08 166.22 10.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.194 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -37.04 82.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.197 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -127.49 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.36 -35.44 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -29.12 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -34.76 78.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.754 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.22 -53.33 59.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -56.04 20.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.768 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.12 -25.2 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.249 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -78.98 -38.01 37.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.47 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.58 -28.42 30.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -70.52 -42.79 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.7 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.432 HD21 HD22 ' A' ' 80' ' ' LEU . 3.6 tp -76.21 -35.55 59.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.64 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.87 -8.78 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.305 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -74.31 -26.4 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.244 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.24 138.59 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.849 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -56.74 23.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.066 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 74.3 Cg_endo -77.51 114.1 3.65 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.09 1.86 . . . . 1.0 111.785 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.95 -178.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.802 1.668 . . . . 1.0 111.814 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 73' ' ' LEU . 51.4 tp -81.27 121.06 25.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 121.71 37.36 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.778 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -122.31 133.74 67.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.512 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 81.5 m-20 -31.15 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.536 0.522 . . . . 1.0 111.0 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.83 -59.23 0.53 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -172.87 173.64 3.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 1.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t -63.47 142.57 58.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.58 131.72 71.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.714 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.69 163.85 12.11 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.338 -0.705 . . . . 1.0 111.338 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.85 139.71 42.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.55 166.39 25.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 1.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 70' ' ' LEU . 11.8 m-85 -87.14 173.08 9.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 85.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.488 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.53 96.65 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.7 p -105.57 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.602 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.79 -103.93 1.53 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.581 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 2.0 p-80 -151.65 123.45 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 1.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 3' ' ' HIS . 16.4 m170 59.01 147.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.44 151.37 20.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.674 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.91 -171.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.12 -0.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.49 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -96.97 -124.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.498 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.61 112.01 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.404 . . . . 1.0 110.552 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 6.7 p30 -175.08 26.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 2.0 m -153.15 135.08 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.385 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.82 156.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 tt -134.13 144.56 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.387 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.88 140.87 35.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.0 ttm180 -121.44 146.67 46.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.1 t30 80.04 52.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 mm -98.02 127.14 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.553 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.84 91.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 57.5 Cg_endo -72.54 13.37 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.419 2.08 . . . . 1.0 111.986 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -120.75 19.65 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.515 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.5 m -87.37 149.05 24.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.906 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 142.51 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.245 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.4 t -45.08 -28.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -54.47 14.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 1.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 m -50.82 -49.95 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.74 -44.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.443 ' HG2' HD12 ' A' ' 36' ' ' LEU . 32.9 mtp -58.79 -60.24 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.026 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -55.98 -25.63 44.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.154 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.03 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 mt -101.21 7.18 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.68 52.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.616 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -77.17 -5.38 15.72 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.185 1.923 . . . . 1.0 112.422 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 73' ' ' LEU . 73.0 m-85 -92.48 -29.97 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.47 -171.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p -106.74 119.32 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.369 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.54 172.12 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.49 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.11 128.44 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.47 -38.72 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.362 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.86 1.79 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.609 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.3 t-20 -114.19 0.91 14.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.682 -0.236 . . . . 1.0 110.996 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -130.63 136.1 59.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 1.0 110.542 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -132.07 123.77 27.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 102.67 14.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.02 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' ILE . 3.1 tt -60.13 96.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -82.77 145.09 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.853 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.31 158.72 18.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.837 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -90.96 -11.26 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.415 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.18 -58.16 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 21.04 17.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.966 0.412 . . . . 1.0 110.208 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 26.6 mp0 42.63 31.67 0.31 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.6 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 5.0 mt-30 -157.54 172.4 18.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.485 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -38.17 143.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.468 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -86.5 29.29 0.78 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.466 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 86.23 20.93 53.9 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 31.3 m-85 -151.58 147.51 26.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 1.0 110.702 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.88 135.64 33.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -103.09 133.59 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 1.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.91 125.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 1.2 mp0 -110.49 152.21 26.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.158 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.98 166.15 11.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.33 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.81 -178.74 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.34 -29.2 23.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptm -78.76 -20.13 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -10.58 59.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.731 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.17 -55.38 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -38.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.96 -59.21 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.78 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -51.7 -28.19 14.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.915 0.388 . . . . 1.0 110.379 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 89' ' ' VAL . 1.1 tp -71.44 -38.74 71.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.188 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -81.31 -47.49 13.25 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.02 -39.84 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.505 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD12 ' CE2' ' A' ' 33' ' ' TYR . 4.4 tp -81.23 -42.65 20.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.53 -11.99 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' GLN . 4.6 t -71.1 -27.11 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.485 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.28 137.04 44.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.168 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -52.94 -60.25 7.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' PRO . 48.1 Cg_endo -70.24 114.14 3.68 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.047 1.831 . . . . 1.0 111.879 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.7 Cg_exo -47.88 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.789 1.659 . . . . 1.0 111.949 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HB2' HD21 ' A' ' 73' ' ' LEU . 57.3 tp -79.34 122.29 26.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.063 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -116.89 131.86 56.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.762 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' ASP . 85.4 mt -135.57 134.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.901 -0.777 . . . . 1.0 108.901 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' ILE . 3.2 m-20 -34.26 103.97 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.287 0.367 . . . . 1.0 110.67 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.47 -49.51 0.74 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.923 -0.656 . . . . 1.0 111.892 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 178.86 -175.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.66 -0.416 . . . . 1.0 111.043 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -74.05 142.89 45.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.89 138.82 50.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.4 171.66 13.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG12 HD12 ' A' ' 70' ' ' LEU . 1.5 t -125.41 138.11 55.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.673 0.273 . . . . 1.0 110.438 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.75 161.65 35.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.527 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 70' ' ' LEU . 5.3 m-85 -79.48 172.89 13.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.446 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . -50.21 129.36 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -63.58 140.79 58.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -84.21 92.54 7.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.18 105.16 2.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 4' ' ' HIS . 7.0 p80 -85.92 -37.88 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 1.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t-80 -51.89 112.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.547 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -77.9 156.94 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.604 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' HIS . 7.2 t-80 56.91 109.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.422 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.8 OUTLIER -136.53 -163.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.568 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 47.39 98.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -162.07 140.09 8.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -169.55 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.625 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -151.53 128.05 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -106.87 129.52 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.302 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 tt -102.58 144.67 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.95 144.67 30.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -126.21 148.06 49.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.291 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' O ' HD13 ' A' ' 87' ' ' ILE . 51.2 t30 73.86 53.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.27 117.51 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.258 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -65.91 162.49 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.533 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 47.0 Cg_endo -70.92 0.1 7.03 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.645 2.23 . . . . 1.0 112.136 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 51.7 t-80 -108.47 21.91 16.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.825 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -87.17 135.34 33.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 145.14 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.23 -21.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.581 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -47.54 73.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.681 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -69.28 -42.02 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.703 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.61 -25.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.752 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.0 mmt -74.92 -59.66 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.755 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -67.46 -24.2 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.038 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.94 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.162 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.9 mt -102.03 7.53 41.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.106 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -53.41 61.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.56 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.13 -5.27 15.66 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.043 1.829 . . . . 1.0 112.155 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.6 m-85 -99.75 -27.27 13.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.735 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.4 -177.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.657 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.542 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.78 131.43 56.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.94 -178.77 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.411 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.06 128.67 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' VAL . 7.3 t -49.26 -38.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.343 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -81.75 3.62 25.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 1.0 111.54 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.52 1.6 12.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.636 -0.257 . . . . 1.0 110.925 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 pt -133.66 132.59 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.78 0.324 . . . . 1.0 110.436 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -132.36 104.36 6.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.469 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.77 105.22 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.96 136.06 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.602 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -109.29 152.26 25.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.828 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 1.7 ttpm? -90.69 -8.93 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -88.17 -57.81 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.0 13.56 26.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.372 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 22.8 mp0 41.03 31.75 0.15 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 30.7 mt-30 -157.48 166.8 32.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.573 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -33.49 139.04 0.06 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.828 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -85.29 28.81 0.7 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.45 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 80.01 22.14 64.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 62.4 m-85 -155.75 147.29 22.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.876 0.369 . . . . 1.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.74 143.35 31.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.544 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.53 131.56 54.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 126.51 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.86 152.35 26.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.175 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.65 165.88 11.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.199 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 t -60.95 -36.88 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.199 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -177.99 4.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.57 -48.4 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.689 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.86 -43.74 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.684 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.93 49.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.82 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.9 p -71.47 -31.89 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -53.84 21.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.669 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.45 -22.06 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.301 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.84 26.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.243 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -82.55 -30.29 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 1.0 110.183 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.86 -35.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -82.74 -35.15 26.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.87 -11.89 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.433 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -67.24 -29.99 69.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 1.0 109.983 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.88 138.34 48.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.031 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -56.07 37.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.0 Cg_endo -76.47 114.27 3.84 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.026 1.817 . . . . 1.0 111.961 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.6 Cg_exo -47.91 -177.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.866 1.711 . . . . 1.0 111.96 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 73' ' ' LEU . 42.6 tp -74.75 123.15 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.026 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -123.75 116.29 22.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 1.0 110.946 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 83' ' ' ASP . 77.6 mt -116.2 136.08 54.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 1.0 109.342 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' ILE . 29.6 m-20 -33.36 104.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.385 0.428 . . . . 1.0 110.933 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.88 -56.83 0.53 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -174.5 178.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.0 110.69 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.74 141.37 56.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.17 136.65 56.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.675 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.59 171.25 13.63 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.117 -0.793 . . . . 1.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.17 140.14 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 1.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 152.82 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.532 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -72.26 172.92 9.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.79 75.86 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -62.94 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.6 p -56.03 95.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.974 -1.013 . . . . 1.0 110.571 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.2 15.8 0.06 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.48 ' O ' ' NE2' ' A' ' 5' ' ' HIS . 15.5 p-80 -88.89 -14.59 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 141.47 58.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.48 ' NE2' ' O ' ' A' ' 3' ' ' HIS . 41.6 m-70 -137.01 171.95 13.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 22.6 t-80 -154.18 59.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -102.81 -179.93 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -105.25 -57.45 2.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.5 ttt -79.47 113.08 17.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.69 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -168.54 41.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.597 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -152.81 145.09 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.8 164.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.348 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.413 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -145.21 138.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 1.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.4 mt -95.68 138.61 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.136 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -125.42 150.56 47.16 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 63.1 56.03 1.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.802 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -98.27 151.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.82 159.09 49.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.742 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 65.7 Cg_endo -74.71 4.73 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.552 2.168 . . . . 1.0 112.379 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 83.5 t60 -107.39 19.66 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.088 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -87.74 138.89 31.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.692 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -135.14 142.31 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.599 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -45.6 -22.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' VAL . 13.7 t70 -68.64 -43.14 76.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -72.71 -55.47 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.56 -26.13 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 mmt -76.31 -60.65 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -67.89 -24.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.036 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.41 67.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.249 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -100.56 7.2 44.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.966 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -54.14 56.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.6 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.1 -6.43 17.3 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.115 1.877 . . . . 1.0 112.112 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 90.1 m-85 -96.57 -26.43 15.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.67 179.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.407 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.36 126.95 55.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.551 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.689 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.57 176.53 5.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.241 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.85 128.59 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -49.37 -39.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.318 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 2.17 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.538 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.4 t-20 -115.19 1.91 13.96 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.629 -0.26 . . . . 1.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.488 HG22 HG23 ' A' ' 58' ' ' VAL . 7.4 pt -133.87 141.7 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 120.848 0.356 . . . . 1.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.52 98.36 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.82 100.02 12.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 tt -60.47 135.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.225 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 149.93 31.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -109.17 152.51 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -4.09 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.689 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.47 -57.51 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 17.36 24.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.607 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 1.3 mp0 42.03 32.81 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.41 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -156.63 167.01 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.348 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.18 140.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.528 -179.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -83.27 27.99 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.88 23.14 42.98 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.261 -0.736 . . . . 1.0 111.261 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 78.8 m-85 -157.56 146.96 20.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.319 . . . . 1.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.85 146.47 27.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.682 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.8 m-85 -113.62 141.51 47.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.432 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 HG22 ' A' ' 41' ' ' ILE . 14.1 p -142.72 139.33 28.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.931 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 60' ' ' LEU . 35.2 tt0 -119.34 152.37 36.87 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.205 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.4 mm? -111.98 165.94 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.199 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -59.1 -37.63 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -136.9 -177.93 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.664 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.36 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.68 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -38.48 65.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.764 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -43.91 95.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.724 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -50.48 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 p -63.02 -35.3 79.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.87 6.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.732 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -52.06 -30.12 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.446 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -77.14 -35.35 56.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.69 -26.86 31.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 1.0 110.493 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.41 -39.2 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 HG21 ' A' ' 89' ' ' VAL . 19.9 tp -79.16 -33.24 44.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 97.6 mt-30 -81.75 -13.53 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -26.17 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 1.0 109.94 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.24 137.52 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.054 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -55.56 43.05 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.9 Cg_endo -77.92 114.17 3.57 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.074 1.849 . . . . 1.0 111.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.3 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 121.829 1.686 . . . . 1.0 111.911 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.5 tp -81.34 118.98 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.95 38.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.998 0.428 . . . . 1.0 110.741 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.9 mt -123.29 136.59 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.498 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.4 m-20 -31.08 104.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 111.007 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.17 -60.44 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.74 176.94 2.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.35 . . . . 1.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -63.6 140.33 58.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.749 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.44 134.1 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.568 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.52 173.42 15.02 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.361 -0.696 . . . . 1.0 111.361 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.641 HG21 HD23 ' A' ' 73' ' ' LEU . 12.6 t -132.09 139.91 49.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.374 . . . . 1.0 110.306 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.03 157.96 44.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -74.9 172.95 11.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.41 106.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 95' ' ' ALA . 9.9 mmtp -81.39 144.98 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.542 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.8 m -76.84 39.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.91 -131.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -140.49 -50.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 1.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -91.98 102.07 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -97.01 120.46 37.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.502 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -82.81 -11.1 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 55.27 100.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.589 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 10.61 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.661 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.2 ttp -154.92 112.34 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 9.1 p30 -167.28 23.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.703 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -153.01 136.77 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.273 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.85 159.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.406 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 13' ' ' ILE . 2.8 tt -132.84 144.55 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.41 143.34 30.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -123.88 148.7 46.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.493 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 72.21 60.58 0.13 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.024 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 20.3 mm -102.05 142.31 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.574 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -78.03 159.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.251 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 57.9 Cg_endo -72.68 8.73 1.48 Allowed 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.637 2.224 . . . . 1.0 112.36 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -119.66 26.27 9.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.638 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 2.2 m -87.78 137.65 32.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.818 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.19 159.52 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.401 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.98 -24.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -27.59 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.758 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -75.06 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.676 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 mm -85.22 -24.21 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.476 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.7 mmt -71.52 -55.91 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -68.04 -24.7 65.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.092 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -36.41 60.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.47 7.71 40.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.7 0.286 . . . . 1.0 111.315 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -54.29 56.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.56 -0.291 . . . . 1.0 111.68 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.79 -5.23 15.79 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.135 1.89 . . . . 1.0 112.164 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.3 m-85 -98.54 -28.62 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.93 -177.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.458 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.057 179.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.716 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.24 -174.68 2.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.65 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.69 129.13 17.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.418 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -48.72 -38.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.484 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.99 5.2 22.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.65 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.5 t-20 -118.48 0.31 11.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.586 -0.279 . . . . 1.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.83 127.69 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.77 128.28 36.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.723 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.5 140.67 29.3 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.3 tt -101.29 103.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -126.12 136.96 53.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.624 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 48' ' ' GLN . 4.7 t0 -110.1 164.2 12.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.424 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 8.0 ttpp -69.09 8.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -77.75 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.593 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 2.3 m -112.78 9.0 19.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 52.03 34.98 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.4 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -177.5 173.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.595 179.415 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -35.98 136.03 0.3 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.366 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.526 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 11.4 mtp85 -86.9 26.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.574 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 96.78 5.12 58.78 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.043 -0.598 . . . . 1.0 112.181 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -141.97 165.99 25.95 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.147 0.474 . . . . 1.0 110.845 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.79 146.43 22.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -105.77 133.03 51.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.482 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.03 122.76 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -110.35 152.26 26.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.035 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -108.79 165.43 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.7 m -61.81 -36.91 82.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.163 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m -115.24 175.51 5.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.523 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.85 21.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -76.44 -42.2 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.37 -23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.14 -60.05 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 p -61.33 -34.08 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.44 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -55.21 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.789 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -22.01 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.588 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.21 -36.55 39.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -82.32 -28.42 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.3 mt -71.0 -36.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.599 HD23 HG21 ' A' ' 89' ' ' VAL . 17.3 tp -83.26 -33.79 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.657 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.81 -11.51 59.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -70.47 -28.49 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 1.0 110.113 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.08 138.14 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.981 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -59.71 -53.88 61.26 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.304 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 75.2 Cg_endo -79.28 113.9 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.077 1.851 . . . . 1.0 111.856 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.17 -177.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 121.826 1.684 . . . . 1.0 111.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' ' 73' ' ' LEU . 59.2 tp -78.76 122.64 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.835 -0.431 . . . . 1.0 109.835 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.63 116.16 24.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.758 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' ASP . 91.1 mt -115.87 135.81 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.463 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 74.0 m-20 -32.72 104.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.392 0.432 . . . . 1.0 111.104 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.57 -56.7 0.55 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -173.9 177.88 2.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 1.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -68.57 142.55 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.18 134.46 62.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.661 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.97 161.83 12.63 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.599 HG21 HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -114.99 141.98 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.682 0.277 . . . . 1.0 110.5 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.57 160.77 39.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.94 172.88 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.56 137.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' ALA . 61.6 mttm 49.72 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 p -59.4 79.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.967 -1.016 . . . . 1.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.37 62.21 0.27 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -68.1 -166.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.645 0.26 . . . . 1.0 110.577 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.526 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -123.31 -100.67 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.477 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.526 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 22.9 m170 47.5 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CG ' ' C ' ' A' ' 5' ' ' HIS . 37.6 m80 -150.87 175.12 12.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -164.78 43.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 18.8 m80 54.21 176.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.596 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 58.74 147.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.617 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -173.79 27.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.614 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.75 144.45 23.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.444 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.61 165.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.3 tt -148.28 127.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.503 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.1 mt -86.32 150.64 24.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.775 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -131.72 149.78 52.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.348 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.6 t30 71.0 56.72 0.21 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.067 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mm -99.02 126.44 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 20' ' ' HIS . . . -61.51 122.63 72.15 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.201 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 75.2 Cg_exo -44.85 -10.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.958 1.772 . . . . 1.0 112.624 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 18' ' ' ALA . 53.6 t-80 -96.51 16.92 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 111.291 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -87.43 152.42 22.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.351 . . . . 1.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.33 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.394 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.06 -24.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.616 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -46.85 82.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.688 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 m -72.22 -59.36 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.89 -27.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 36' ' ' LEU . 6.7 mmm -77.33 -58.5 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.793 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -59.16 -24.27 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.932 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -32.08 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.24 7.43 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.948 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -52.55 60.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.694 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.06 -3.08 13.14 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.176 1.918 . . . . 1.0 112.382 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.4 m-85 -96.92 -28.09 14.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.829 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.9 -170.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.48 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.497 ' C ' HD23 ' A' ' 36' ' ' LEU . 37.8 t -108.63 119.4 39.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.235 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -107.42 164.37 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.529 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.23 130.99 19.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.544 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 38' ' ' VAL . 4.7 t -48.46 -40.34 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.402 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -81.58 2.64 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.591 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 2.01 13.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.624 -0.262 . . . . 1.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 HG23 ' A' ' 58' ' ' VAL . 8.4 pt -131.23 137.3 55.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.657 0.265 . . . . 1.0 110.378 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.0 117.2 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.44 106.9 18.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.84 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.2 tt -60.06 100.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.525 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.82 120.85 42.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.73 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.6 164.36 12.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.432 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 9.03 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -83.81 -57.65 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.498 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -102.75 2.68 35.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 61.38 18.84 9.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 1.0 111.196 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 49' ' ' THR . 1.2 pt20 -172.65 179.82 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.323 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.2 p30 -37.69 131.89 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 26.6 mtp180 -83.0 26.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.542 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 96.56 4.75 59.21 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 121.071 -0.585 . . . . 1.0 111.696 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -136.33 167.46 21.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 1.0 110.603 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -154.94 133.93 12.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.25 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.54 135.89 41.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.69 HG23 HG22 ' A' ' 41' ' ' ILE . 3.8 p -142.61 135.06 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.76 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.49 148.24 42.81 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -106.38 165.88 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.081 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.2 t -63.99 -36.0 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.245 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -123.41 -177.81 3.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.757 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.87 -48.87 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.881 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.17 -40.05 88.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.902 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.95 -40.69 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -56.78 17.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -60.89 -39.92 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -55.24 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.17 -25.11 65.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 1.0 110.166 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD2' ' OE1' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -80.23 -37.11 33.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.22 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.74 -27.33 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.64 -42.0 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 89' ' ' VAL . 5.8 tp -76.92 -32.08 57.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.814 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.407 ' OE1' ' CD2' ' A' ' 70' ' ' LEU . 24.8 mt-30 -85.05 -10.55 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.97 65.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 1.0 109.955 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.72 137.74 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.993 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -56.49 29.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.044 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.9 Cg_endo -76.39 114.49 3.89 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.087 1.858 . . . . 1.0 111.883 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 78' ' ' PRO . 53.1 Cg_exo -47.81 -177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.83 1.687 . . . . 1.0 111.828 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.72 120.93 24.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.664 -0.414 . . . . 1.0 109.933 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -122.26 117.42 26.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.853 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.5 mt -118.6 135.43 59.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.447 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 10.2 m-20 -31.7 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.473 0.483 . . . . 1.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.1 -57.46 0.52 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.08 -177.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 1.0 110.604 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -71.79 139.27 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -116.51 133.62 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.47 174.15 15.54 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.66 -0.576 . . . . 1.0 111.66 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG21 HD23 ' A' ' 73' ' ' LEU . 10.7 t -132.28 140.15 48.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.359 . . . . 1.0 110.471 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.02 157.87 44.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.626 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -76.94 172.93 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 93' ' ' LYS . . . -64.55 114.41 4.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 92' ' ' ALA . 2.2 tptp 60.35 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.552 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.9 m -138.88 80.93 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.92 -1.038 . . . . 1.0 110.659 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . 155.31 -68.46 0.29 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 44.91 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 1.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 2' ' ' GLY . 3.8 m80 -140.78 144.01 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.535 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.15 81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 4' ' ' HIS . 88.1 m-70 -48.13 169.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.502 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' ND1' ' C ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -138.78 21.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.618 ' CG ' ' H ' ' A' ' 9' ' ' MET . 6.8 t-80 -98.3 -169.6 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.618 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 18.6 ttp -85.04 112.86 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -168.81 30.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -152.76 138.87 18.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.245 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -106.78 158.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.229 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 ' C ' HD23 ' A' ' 14' ' ' LEU . 6.9 tt -135.5 138.53 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.601 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -99.3 133.52 43.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.172 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -121.34 153.21 38.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.843 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.01 56.34 3.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.4 153.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.617 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -85.74 160.26 53.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 65.2 Cg_endo -74.73 -0.72 10.2 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.681 2.254 . . . . 1.0 112.433 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.74 20.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.135 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -88.03 138.4 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.727 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.1 142.45 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.462 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -52.76 -23.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.87 -46.5 84.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -70.46 -47.43 60.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.599 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.36 -27.81 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.42 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.5 mmt -74.52 -58.26 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.654 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -66.54 -24.19 66.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.38 -32.99 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.258 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -103.5 8.12 37.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -52.76 65.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.464 -0.335 . . . . 1.0 111.764 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.75 -3.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.147 1.898 . . . . 1.0 112.396 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -103.61 -27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.961 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.14 -178.1 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.654 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -118.81 127.55 53.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.56 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.01 129.54 17.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.464 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.29 -39.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 1.0 111.464 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -81.84 -0.54 43.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.687 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -112.25 0.71 15.85 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.66 -0.246 . . . . 1.0 111.178 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 58' ' ' VAL . 15.4 pt -123.51 138.51 53.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 1.0 110.643 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -132.01 114.61 14.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 100.64 11.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.054 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 44' ' ' ILE . 5.9 tt -62.16 102.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.239 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -90.24 146.85 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.531 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.76 157.33 19.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.647 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -90.7 -11.27 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.668 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -72.73 -57.78 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.48 17.2 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 46.47 28.58 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.098 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -155.88 166.23 34.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.08 140.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -86.58 36.06 0.69 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 37.39 14.73 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.41 159.56 33.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 1.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB3' HD12 ' A' ' 14' ' ' LEU . . . -157.86 152.5 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.568 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 3.1 m-85 -124.62 129.74 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.345 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.62 139.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.688 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -124.0 152.5 42.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.125 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.75 164.87 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.07 86.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.102 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -118.62 176.18 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -29.21 23.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.753 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mtm -75.53 -45.78 36.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -34.35 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.572 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -58.24 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.546 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -60.25 -38.93 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.306 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.8 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.2 -28.56 62.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.338 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -38.1 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.585 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.72 -30.38 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 mt -68.91 -42.38 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.606 HD21 HD22 ' A' ' 80' ' ' LEU . 4.4 tp -77.16 -35.52 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.672 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -81.65 -7.76 59.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.409 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.89 -26.33 61.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.463 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.23 136.61 56.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.47 -57.6 10.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.57 -0.452 . . . . 1.0 110.594 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.42 148.62 23.74 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.922 1.748 . . . . 1.0 111.407 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.64 165.56 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.022 1.815 . . . . 1.0 111.485 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.606 HD22 HD21 ' A' ' 73' ' ' LEU . 61.4 tp -61.51 115.86 4.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.6 tmtt? -114.36 115.77 27.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.018 0.437 . . . . 1.0 111.242 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' ASP . 86.5 mt -116.88 136.43 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.523 -0.762 . . . . 1.0 109.158 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ILE . 1.3 m-20 -33.06 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.423 . . . . 1.0 110.799 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.62 -54.84 0.56 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -177.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -70.3 142.51 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -123.22 136.92 58.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.48 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.1 161.33 13.49 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.291 -0.724 . . . . 1.0 111.291 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.72 137.91 54.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.693 0.282 . . . . 1.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.19 162.83 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 21.0 m-85 -74.93 172.78 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.55 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.18 117.32 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -101.36 -57.71 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 m 53.58 82.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.604 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.7 101.07 1.59 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 80.19 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.5 m80 52.27 -126.56 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.506 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -178.15 -42.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.543 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 14.6 p80 -78.85 46.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -87.02 -25.5 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.503 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 9' ' ' MET . 12.8 p80 -74.33 -35.19 63.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.437 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 26.4 ttp -102.81 113.14 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -165.49 30.36 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.484 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.4 m -152.79 138.1 17.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.36 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.592 HD11 ' HB1' ' A' ' 66' ' ' ALA . 25.8 mm -106.98 160.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.342 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 12' ' ' ILE . 5.1 tt -142.42 122.64 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.04 146.2 35.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.568 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -125.71 148.49 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 87' ' ' ILE . 55.9 t30 70.51 59.49 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.358 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 87' ' ' ILE . 34.6 mm -98.05 136.93 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.355 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.89 159.52 85.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.4 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.5 Cg_endo -72.07 0.2 7.59 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.587 2.192 . . . . 1.0 112.171 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -115.33 29.57 7.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.677 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -87.45 140.11 29.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.97 142.3 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -21.49 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.9 -60.73 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -63.85 -57.17 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -45.04 -31.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.701 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.3 mmm -78.1 -58.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 1.0 110.739 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -61.07 -24.34 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.984 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.83 -32.71 65.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.956 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.17 7.56 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -52.7 61.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.66 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.1 -2.73 12.81 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.159 1.906 . . . . 1.0 112.359 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.47 -27.07 14.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.49 -170.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 1.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -108.21 123.66 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.34 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.48 171.35 7.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.602 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.09 128.24 16.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.339 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.8 t -49.54 -39.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.37 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.3 1.63 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.578 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.9 t-20 -114.28 1.65 14.54 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 41' ' ' ILE . 4.8 pt -135.17 127.55 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 1.0 110.517 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -132.74 130.09 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.698 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -93.31 137.68 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.434 . . . . 1.0 109.927 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER -84.72 96.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.437 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 119.83 39.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.639 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.77 164.35 12.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.537 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.16 8.92 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.399 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' OE1' ' NH1' ' A' ' 53' ' ' ARG . 2.6 mt-30 -77.88 -57.49 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.681 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -111.74 12.05 21.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.41 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.416 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 2.4 mp0 54.14 31.56 14.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.153 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 19' ' ' PRO . 1.1 pt20 -178.35 173.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.366 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -39.64 134.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.953 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' NH1' ' OE1' ' A' ' 48' ' ' GLN . 12.5 mtp180 -86.45 24.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 1.0 110.75 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 91.61 29.79 11.55 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.401 -0.679 . . . . 1.0 111.401 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 58.7 m-85 -156.77 147.0 21.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 1.0 111.064 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.11 139.65 30.52 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.34 136.02 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.18 134.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.441 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -120.81 152.78 37.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 69' ' ' LEU . 4.6 mm? -108.98 165.39 11.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.041 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -37.7 82.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.149 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 -177.92 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.513 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.51 -49.35 11.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.764 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttp -58.52 -39.58 80.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.723 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.81 -29.06 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 12' ' ' ILE . . . -70.12 -47.48 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.26 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.475 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.59 -58.36 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.716 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -53.74 -26.59 24.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.319 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -76.4 -37.95 56.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.5 tt0 -82.68 -26.86 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.793 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.2 mt -72.1 -40.7 67.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -78.83 -35.56 43.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -81.67 -9.01 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.153 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -73.73 -24.62 59.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.542 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.58 135.29 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -56.91 14.13 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.795 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.68 140.63 21.21 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.849 1.699 . . . . 1.0 111.702 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.37 166.07 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.028 1.818 . . . . 1.0 111.613 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 87' ' ' ILE . 54.9 tp -63.43 126.83 28.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.692 -0.484 . . . . 1.0 109.692 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 81' ' ' LYS . 1.6 tptt -137.9 122.93 19.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.139 0.495 . . . . 1.0 111.005 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -127.39 148.89 32.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.367 -0.975 . . . . 1.0 108.367 178.292 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.9 m-20 -35.33 102.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.807 0.337 . . . . 1.0 110.672 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.34 -57.88 0.45 Allowed Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.793 -0.717 . . . . 1.0 111.898 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.06 -174.77 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.784 -0.366 . . . . 1.0 111.064 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -73.98 142.5 45.83 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.507 HG21 HD23 ' A' ' 80' ' ' LEU . 3.2 mm -123.89 135.52 63.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.109 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.17 167.39 12.62 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.304 -0.719 . . . . 1.0 111.304 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.424 HG12 HD12 ' A' ' 70' ' ' LEU . 1.4 t -121.78 138.2 52.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.708 0.29 . . . . 1.0 110.429 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.69 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -75.17 169.13 18.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.86 157.2 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.631 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -66.13 -67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.72 94.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.593 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.38 23.37 71.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -156.79 94.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 1.0 110.561 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.34 160.36 2.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -72.12 159.09 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.528 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.3 OUTLIER 41.76 -163.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.522 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 135.56 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -136.96 -77.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.1 ttm -155.47 112.18 3.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.588 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -175.76 36.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.46 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -152.77 142.16 21.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.478 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.7 140.32 27.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 57' ' ' PHE . 3.6 mm -115.87 112.06 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.345 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.5 mt -78.16 138.2 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.297 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.1 ttm180 -123.06 146.59 47.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.468 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' O ' HD13 ' A' ' 87' ' ' ILE . 41.1 t30 77.33 52.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.193 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 mm -95.59 134.77 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.0 110.387 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -69.72 158.84 86.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.261 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.29 7.11 2.3 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.47 2.113 . . . . 1.0 112.206 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 69.2 t60 -123.45 29.74 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -87.36 145.63 26.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.806 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.08 142.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.336 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.1 t -52.09 -23.6 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.646 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -35.59 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -74.48 -33.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.06 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -85.02 -24.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.834 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.0 mmm -73.89 -57.13 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.668 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.0 m -64.57 -24.45 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.67 -32.42 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -100.24 7.29 44.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.915 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -52.64 61.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.66 -3.48 13.62 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.061 1.841 . . . . 1.0 112.309 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 73' ' ' LEU . 71.9 m-85 -94.78 -28.81 15.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.56 -169.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.503 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.63 123.21 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.303 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.51 172.66 6.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.429 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.0 127.99 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.319 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.3 t -49.37 -39.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.41 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.87 2.48 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.541 -0.299 . . . . 1.0 111.393 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.6 t-20 -114.43 1.51 14.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.722 -0.217 . . . . 1.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 5.8 pt -134.99 128.65 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.274 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.92 137.11 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.86 138.64 37.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.888 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -88.92 96.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.43 141.13 28.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.49 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 47' ' ' LYS . 5.0 t0 -109.96 163.72 13.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.702 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -90.83 6.08 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.522 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -57.77 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.704 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.42 15.36 24.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.281 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 27.4 mp0 41.09 33.22 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.529 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -157.4 164.22 37.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.134 0.492 . . . . 1.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -38.76 140.12 0.38 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.055 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -90.74 34.28 0.91 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 81.55 25.32 54.23 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.278 -0.729 . . . . 1.0 111.278 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 81.9 m-85 -155.65 146.85 22.57 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.004 0.43 . . . . 1.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.66 131.32 22.6 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.374 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 13' ' ' ILE . 11.0 m-85 -98.03 137.04 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 1.6 p -142.48 128.04 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -113.42 151.62 31.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.271 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.58 166.51 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.222 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.116 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -129.86 -177.97 4.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.14 -48.94 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.667 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 ttt -54.65 -39.38 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.48 -29.97 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.576 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 -52.8 16.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.539 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 p -61.7 -36.14 80.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -59.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -51.43 -29.83 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.351 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -36.97 61.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.68 -28.61 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 1.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.36 -37.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.736 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.06 -31.76 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.752 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.14 -12.3 57.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.486 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -69.92 -27.05 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 1.0 110.275 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.5 mt -73.25 137.09 44.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.067 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -56.12 31.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.257 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.8 114.11 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.176 1.917 . . . . 1.0 112.059 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.1 Cg_exo -48.75 -176.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.777 1.651 . . . . 1.0 111.892 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 87' ' ' ILE . 55.6 tp -76.14 122.46 24.34 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -119.38 122.14 41.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.866 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -125.59 131.55 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.025 -0.731 . . . . 1.0 109.025 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 65.5 m-20 -33.66 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.341 0.401 . . . . 1.0 110.858 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -45.18 0.86 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.943 -0.646 . . . . 1.0 111.626 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 pttt 175.34 -175.9 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.796 0.298 . . . . 1.0 110.876 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.37 141.43 43.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 80' ' ' LEU . 3.4 mm -120.75 137.39 54.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.7 172.41 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 73' ' ' LEU . 4.3 t -127.7 141.35 46.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 1.0 110.362 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.75 157.11 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.64 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.3 m-85 -76.92 173.08 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.387 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.91 68.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.492 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.9 p -107.46 59.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.621 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 3' ' ' HIS . . . -162.14 -46.15 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.405 ' CG ' ' C ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -152.96 111.03 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.356 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -170.89 166.96 7.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.526 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 151.52 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.65 114.7 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.523 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -84.74 -18.83 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.639 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -86.96 161.66 18.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.77 146.11 32.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.28 23.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.95 133.86 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 pt -106.75 143.4 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' C ' HD23 ' A' ' 14' ' ' LEU . 4.5 tt -116.68 143.96 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.558 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -100.98 151.74 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.424 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -133.83 149.42 51.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.406 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.2 t30 66.01 59.91 0.68 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -102.49 120.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -62.73 160.22 37.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.352 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.8 Cg_endo -73.35 2.92 5.15 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.555 2.17 . . . . 1.0 112.257 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.513 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.7 t60 -107.51 14.26 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.005 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -87.33 139.16 30.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 151.54 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.449 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.76 -24.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -45.35 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -71.87 -42.31 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.549 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.4 -24.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.435 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.8 mmt -74.57 -57.85 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.662 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -69.19 -24.27 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.54 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.17 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.7 mt -101.3 7.48 42.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.041 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.92 58.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.635 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.74 -4.63 15.18 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.002 1.801 . . . . 1.0 112.215 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.9 m-85 -99.84 -26.81 13.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.94 -179.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.47 ' C ' HD23 ' A' ' 36' ' ' LEU . 1.4 t -113.08 128.58 56.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.468 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.33 -176.16 2.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.347 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.86 129.63 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -48.39 -39.79 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.507 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -82.13 1.98 33.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.652 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -115.56 1.09 13.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.647 -0.251 . . . . 1.0 110.998 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 HG22 HG12 ' A' ' 58' ' ' VAL . 10.0 pt -127.52 135.0 64.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.89 0.376 . . . . 1.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 110.92 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.8 tt -73.08 97.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.686 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -126.13 142.84 51.36 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -108.52 164.17 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.452 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.547 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 1.7 ttpm? -63.24 2.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.774 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -69.13 -57.58 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.628 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.36 19.06 6.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.547 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 22.3 mp0 40.93 33.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.414 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -152.57 166.36 32.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.05 140.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.338 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -98.31 45.8 1.01 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.975 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.7 13.42 82.43 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.03 157.27 40.26 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.989 0.423 . . . . 1.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.16 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 2.2 m-85 -125.78 129.73 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.72 128.74 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.555 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -116.85 152.58 34.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.71 165.91 11.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.049 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.0 p -66.77 -35.3 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.289 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -114.66 173.86 6.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.646 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.99 21.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.671 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -23.09 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.662 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.91 -14.44 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.85 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 p -58.88 -36.34 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.382 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -56.42 22.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.09 -25.75 67.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.291 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -39.06 31.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.57 -26.82 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 1.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.2 -41.35 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 89' ' ' VAL . 5.2 tp -77.69 -33.0 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.733 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.19 -10.82 57.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -69.81 -29.13 66.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 1.0 109.965 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.36 140.11 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.005 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -57.3 25.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.106 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.8 Cg_endo -75.96 114.36 3.91 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.156 1.904 . . . . 1.0 111.975 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.8 Cg_exo -48.11 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.811 1.674 . . . . 1.0 112.029 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.16 124.93 29.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.35 120.85 33.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.748 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -120.91 133.69 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.334 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' ILE . 28.0 m-20 -31.39 104.03 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.443 0.465 . . . . 1.0 111.135 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -57.61 0.53 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.86 179.46 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.724 0.297 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 140.95 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -117.47 137.69 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.624 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.02 171.02 14.05 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.265 -0.734 . . . . 1.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 73' ' ' LEU . 4.0 t -130.27 140.15 49.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 1.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.43 158.73 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.1 163.2 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.448 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.93 108.5 18.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -100.62 -173.13 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.11 31.76 20.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.98 119.16 2.99 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' HIS . 78.6 m-70 -145.0 -127.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 1.0 110.639 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 54.38 107.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.563 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.76 166.19 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.558 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.62 177.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.47 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 12.2 m80 53.02 96.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.514 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttp 55.66 111.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.09 26.82 0.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.391 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -152.66 145.48 24.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.157 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.88 168.16 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.545 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.26 136.89 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.362 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.21 146.89 24.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -127.81 147.96 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.164 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 73.09 54.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.183 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.424 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 35.9 mm -95.47 140.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.286 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -76.68 162.94 68.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.829 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.43 1.38 6.86 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.812 2.342 . . . . 1.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.8 t-80 -116.0 29.76 7.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.913 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 1.8 m -87.39 139.2 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.18 158.71 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.44 -22.37 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -68.71 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.706 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 m -65.86 -52.44 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.68 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.6 -24.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.428 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.9 mmt -77.45 -57.99 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.5 m -67.06 -24.17 65.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.955 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.1 -34.78 64.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.248 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -102.08 7.49 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.97 57.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.501 -0.318 . . . . 1.0 111.576 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.98 -5.13 15.63 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.131 1.887 . . . . 1.0 112.225 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.25 -27.22 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.68 -179.25 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.536 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -115.85 129.74 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.379 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.742 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.75 -175.59 2.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.484 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.84 128.82 17.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.23 -39.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.392 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.48 4.37 21.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.464 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.2 t-20 -117.65 1.4 12.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.21 129.69 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -132.71 129.65 39.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.4 137.22 32.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 44' ' ' ILE . 7.4 tp -83.51 96.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.2 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.12 119.56 39.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.966 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.95 157.1 19.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.426 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.4 ttmm -79.36 8.49 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.559 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -57.51 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.53 2.92 36.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.283 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 59.74 20.15 8.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.148 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 4.2 pt20 -172.63 171.48 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.217 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.91 130.59 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -84.05 27.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.901 0.382 . . . . 1.0 110.593 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 87.52 31.68 15.46 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 73.7 m-85 -158.74 147.63 18.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 1.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.14 146.77 28.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.468 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.52 139.08 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 58' ' ' VAL . 3.8 p -142.54 129.05 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -117.75 151.98 36.2 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.069 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.83 165.36 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.075 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -64.34 -36.18 83.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -117.32 172.76 7.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.674 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.33 -31.1 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -22.73 48.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -27.95 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.34 -58.93 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -58.52 -37.85 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -57.76 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.61 -28.41 63.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -35.4 55.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.75 -28.74 30.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.8 mt -74.81 -38.31 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.808 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -80.4 -31.46 37.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.789 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -83.58 -12.9 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.508 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -26.12 64.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.854 0.359 . . . . 1.0 110.295 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.35 139.87 46.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.592 . . . . 1.0 109.843 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.48 ' CD2' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -60.86 -53.04 67.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 120.891 -0.323 . . . . 1.0 111.274 -179.435 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HD3' ' CD2' ' A' ' 77' ' ' HIS . 73.0 Cg_endo -77.54 113.67 3.56 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.958 1.772 . . . . 1.0 111.658 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.9 Cg_exo -49.07 -176.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.743 1.629 . . . . 1.0 111.951 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.49 120.95 25.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.911 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -121.28 116.59 25.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.83 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -116.61 135.81 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.489 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 5.7 m-20 -33.14 104.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.425 0.453 . . . . 1.0 111.002 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.64 -56.74 0.54 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -173.91 -178.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.811 0.339 . . . . 1.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.25 141.02 50.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.6 mm -119.06 135.2 60.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.75 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.25 172.66 14.43 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 73' ' ' LEU . 3.4 t -128.51 140.47 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.63 151.31 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.505 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 9.0 m-85 -71.37 172.83 8.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 115.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -146.72 164.96 31.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.556 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 95' ' ' ALA . 43.7 t -143.65 27.99 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.654 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.31 177.0 30.0 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 71.56 20.74 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 1.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -172.12 45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -100.7 -178.53 3.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.675 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -151.49 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.532 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -171.67 73.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.529 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.82 -17.53 20.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm -143.76 115.72 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -164.3 26.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.602 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -152.74 137.82 17.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.22 159.75 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.27 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.521 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.8 tt -137.65 141.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.087 0.47 . . . . 1.0 110.627 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -96.75 153.55 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.189 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.22 146.64 50.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.455 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.3 t30 60.84 68.9 0.71 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.819 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 3.6 mm -98.2 146.54 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.255 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -68.37 160.9 73.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.843 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 60.8 Cg_endo -74.51 -10.15 21.89 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.733 2.289 . . . . 1.0 112.461 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.517 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 2.3 t-80 -104.54 23.52 13.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.83 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 91.1 m -87.25 131.4 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.13 -177.42 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.337 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.33 -25.21 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.63 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.45 -56.46 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -48.24 80.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.715 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -50.4 -38.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.4 mmt -69.67 -57.88 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.423 . . . . 1.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.318 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.38 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.732 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.6 mt -103.41 8.07 38.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 1.0 111.357 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.7 61.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.45 -3.83 13.68 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.2 1.933 . . . . 1.0 112.371 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 91.9 m-85 -99.8 -27.63 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.068 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.19 -179.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 1.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.509 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -112.81 130.91 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.432 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -113.18 -175.18 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.467 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -143.62 128.66 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.203 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -48.82 -39.07 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -82.12 4.15 24.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.58 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -118.72 1.89 11.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.571 -0.286 . . . . 1.0 110.958 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 130.84 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.838 0.351 . . . . 1.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.6 115.15 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -91.2 111.25 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 143.87 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.514 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.41 150.47 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.322 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -109.24 151.82 26.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.944 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -90.55 -8.12 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.722 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -86.23 -57.6 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.587 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.75 17.98 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.368 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 1.2 mp0 41.7 30.04 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.983 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -157.38 164.29 37.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.249 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.73 142.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.388 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -94.49 33.8 1.38 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.17 44.82 9.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 82.9 m-85 -162.05 146.72 12.66 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.676 0.274 . . . . 1.0 110.767 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.9 138.06 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.649 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.2 m-85 -107.37 133.07 52.44 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.69 124.12 19.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.551 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 60' ' ' LEU . 58.3 tt0 -110.2 152.6 25.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.123 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.6 mm? -110.59 165.24 11.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.959 -0.386 . . . . 1.0 109.959 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -65.05 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.314 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 165.88 11.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.27 -22.15 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -93.47 -1.48 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -7.64 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 1.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.41 -55.98 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.1 p -61.64 -33.93 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.475 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.48 -57.36 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.3 -26.53 65.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 89' ' ' VAL . 0.8 OUTLIER -76.65 -36.91 57.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.42 -33.56 28.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.42 -40.76 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.576 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.83 -34.8 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.472 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.458 HE22 HD21 ' A' ' 70' ' ' LEU . 78.7 mt-30 -77.84 -9.74 59.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.57 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.47 -30.05 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 1.0 110.034 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.94 135.55 53.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.601 . . . . 1.0 109.637 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.58 -51.63 65.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.763 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' PRO . 87.2 Cg_endo -84.56 113.1 1.64 Allowed 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.32 2.013 . . . . 1.0 111.515 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.8 Cg_exo -47.83 -178.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.846 1.697 . . . . 1.0 111.757 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.63 116.98 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.102 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 2.0 tmtt? -108.69 104.89 14.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.832 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 83' ' ' ASP . 96.4 mt -104.22 136.96 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.539 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 82' ' ' ILE . 2.0 m-20 -30.31 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.524 0.515 . . . . 1.0 111.228 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.59 -61.38 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.78 178.45 4.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.868 0.366 . . . . 1.0 110.883 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t -72.84 142.86 47.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -110.42 133.9 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.375 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.42 164.12 12.35 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.397 -0.681 . . . . 1.0 111.397 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -117.29 138.1 49.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.741 0.305 . . . . 1.0 110.458 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.63 159.97 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.68 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.29 173.0 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.52 -179.33 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.9 tptm 60.51 59.18 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -144.07 33.02 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.653 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.478 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.65 142.51 4.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -92.99 -166.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 1.0 110.582 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -137.97 109.26 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.29 112.81 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.466 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.91 31.15 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -164.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -96.43 123.41 40.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.519 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 58.83 146.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.617 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.4 t0 -172.68 32.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 m -152.8 127.85 9.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.71 134.46 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.418 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' CE2' ' A' ' 57' ' ' PHE . 79.8 mt -111.21 132.26 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.431 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.25 143.28 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.6 ttm180 -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' O ' HD13 ' A' ' 87' ' ' ILE . 34.5 t30 79.18 53.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.906 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.8 130.36 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.789 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -70.87 159.42 85.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.133 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.8 Cg_endo -72.06 1.6 5.77 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.54 2.16 . . . . 1.0 112.196 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -110.54 23.17 14.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -87.51 141.38 28.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.3 40.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.348 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HD23 ' A' ' 43' ' ' LEU . 15.4 t -53.79 -22.33 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.62 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.47 -52.39 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.759 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -68.71 -58.4 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.86 -27.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.639 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.847 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.2 mmm -77.0 -58.25 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -62.51 -24.36 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.41 -32.18 66.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.949 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.57 7.47 42.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.108 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -53.27 57.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.647 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.55 -3.44 13.62 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.177 1.918 . . . . 1.0 112.338 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.8 m-85 -96.69 -26.98 14.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.22 -170.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -108.03 123.88 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.304 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.06 171.4 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.661 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.79 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.44 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.09 -38.99 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.421 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.16 4.69 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.476 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.659 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.2 t-20 -118.55 1.95 11.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.6 pt -134.2 130.62 54.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.916 0.388 . . . . 1.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.56 133.35 43.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.693 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.509 HD23 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -101.3 102.08 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.991 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.5 tt -60.15 96.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.199 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -86.04 152.33 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.794 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 47' ' ' LYS . 41.0 t0 -109.62 157.28 19.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.76 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 2.1 tppt? -90.64 -4.14 57.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.486 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.516 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -94.22 -57.54 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.754 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.37 9.95 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.467 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.59 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 2.7 mp0 43.9 25.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.327 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 7.8 mp0 -155.91 167.37 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -35.82 141.39 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.311 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.78 28.37 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.437 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 84.67 24.12 47.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CG ' ' C ' ' A' ' 54' ' ' GLY . 43.8 m-85 -155.18 146.82 23.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.415 . . . . 1.0 110.773 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.64 131.51 37.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.237 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 13' ' ' ILE . 8.6 m-85 -99.48 127.23 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.407 HG12 HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -135.79 137.78 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.335 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -119.74 152.48 37.13 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.22 166.11 10.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.111 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -60.62 -37.4 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.131 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 5.6 m -139.36 176.82 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.737 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.01 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.711 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -40.51 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.684 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.96 -45.23 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.719 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.73 -53.19 59.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.2 p -59.8 -39.49 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -60.02 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -49.94 -29.84 9.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.414 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -75.79 -36.69 59.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.258 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -82.85 -25.5 32.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.3 mt -77.21 -39.66 28.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.15 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.12 -30.83 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.41 -13.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -70.17 -26.15 63.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.996 0.427 . . . . 1.0 110.059 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.88 138.4 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.98 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -56.7 26.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.059 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.58 114.18 3.91 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.078 1.852 . . . . 1.0 111.971 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.8 Cg_exo -48.26 -177.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.854 1.703 . . . . 1.0 111.922 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.1 tp -77.97 122.24 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -117.03 131.94 56.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.179 0.514 . . . . 1.0 110.906 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -135.55 134.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.439 -0.8 . . . . 1.0 108.991 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -33.86 104.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.448 0.467 . . . . 1.0 110.866 -179.346 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.9 -48.64 0.78 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.83 -0.7 . . . . 1.0 111.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 178.93 -176.31 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.458 . . . . 1.0 111.122 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t -74.73 142.99 44.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.501 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.441 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.37 136.59 56.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.888 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.4 173.82 15.69 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.392 -0.683 . . . . 1.0 111.392 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 73' ' ' LEU . 10.2 t -130.28 141.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.736 0.303 . . . . 1.0 110.59 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.0 163.87 32.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.681 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 93' ' ' LYS . 11.7 m-85 -83.39 173.12 11.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.52 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.78 89.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.531 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' PHE . 10.0 mtpt -137.02 -176.68 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.644 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -178.57 89.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.523 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.67 94.78 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 96.05 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 1.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' ND1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -147.23 -80.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.54 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -70.41 65.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.39 8.87 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -139.84 35.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 1.8 t60 -144.06 70.86 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 9' ' ' MET . 7.0 tmm? 55.44 112.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -174.6 30.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.523 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.2 m -152.91 132.29 12.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.395 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.85 127.42 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.82 144.46 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.673 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.31 148.83 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -129.68 150.93 50.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.424 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 87' ' ' ILE . 63.0 t30 68.81 55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 1.0 111.129 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.9 mm -95.74 134.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -73.0 162.46 74.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.78 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 Cg_endo -72.13 -3.97 14.3 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.768 2.312 . . . . 1.0 112.252 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.16 22.87 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.824 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -87.35 129.94 34.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.667 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.17 142.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.2 t -45.31 -24.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.573 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -67.68 -44.88 76.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.715 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 m -71.15 -50.33 34.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.701 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.22 -24.58 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.8 mmt -74.6 -57.67 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.9 m -66.92 -24.27 66.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.024 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.435 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.85 7.79 41.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.678 0.275 . . . . 1.0 111.092 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.24 62.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.721 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.42 -4.01 14.25 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.157 1.905 . . . . 1.0 112.231 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.0 m-85 -102.06 -27.68 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.05 -177.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.727 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.5 t -116.11 131.4 56.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.329 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.75 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.79 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.456 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.08 129.87 18.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.468 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.05 -39.83 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.347 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.07 2.73 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.481 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.0 t-20 -116.65 1.75 12.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.839 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.91 129.16 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.877 0.37 . . . . 1.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -132.5 120.46 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.03 139.23 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt -89.7 101.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.009 0.433 . . . . 1.0 110.614 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -103.71 123.28 46.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.675 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD2' ' CZ ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -106.17 157.25 17.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.585 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -84.37 9.08 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.177 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -93.38 -57.5 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -0.48 57.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.447 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 23.17 10.58 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.355 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 19' ' ' PRO . 3.2 pm0 -178.44 174.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.137 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -36.21 137.59 0.25 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.059 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CZ ' ' OD2' ' A' ' 46' ' ' ASP . 24.3 mtt180 -91.43 33.3 1.0 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.087 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 81.48 25.27 54.64 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 32.3 m-85 -147.95 147.89 30.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 1.0 110.74 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.98 136.64 17.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.385 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.84 130.84 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.78 123.84 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -111.59 152.77 27.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.278 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.27 166.52 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.202 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -58.58 -37.2 75.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.26 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -127.94 -178.87 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.712 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.91 -33.53 21.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -25.19 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.55 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.64 -13.76 61.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.646 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.99 -58.98 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -36.76 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.354 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.93 -25.48 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -79.74 -38.47 33.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.281 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.84 -26.29 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.72 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.62 -40.53 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.054 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -78.75 -31.62 46.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -85.9 -12.17 51.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.749 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.18 -26.45 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.017 0.437 . . . . 1.0 110.041 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.54 138.29 50.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.009 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -56.49 28.38 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.7 Cg_endo -76.35 114.27 3.85 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.147 1.898 . . . . 1.0 111.944 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.91 -177.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.848 1.699 . . . . 1.0 112.025 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.1 tp -79.0 120.4 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -121.81 116.8 25.11 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.824 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -116.43 133.71 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.34 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.3 m-20 -32.67 104.04 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.425 0.453 . . . . 1.0 110.974 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.38 -54.23 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -179.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 1.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 t -71.86 142.57 49.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.716 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -121.03 135.98 59.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.23 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.303 -0.719 . . . . 1.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 73' ' ' LEU . 7.9 t -131.88 141.28 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.66 0.267 . . . . 1.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -143.06 151.64 41.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.664 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 70' ' ' LEU . 8.4 m-85 -71.06 173.02 8.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.476 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . -75.73 121.74 22.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -106.03 -129.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -154.87 121.64 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.633 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tpt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 3' ' ' HIS . . . -98.33 22.68 39.68 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.416 ' CG ' ' C ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -179.49 146.54 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.572 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -37.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.74 124.72 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -53.98 121.77 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.543 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -3.53 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.65 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CG ' ' H ' ' A' ' 9' ' ' MET . 14.1 t-80 -51.96 -175.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.493 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.548 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 4.7 mtt -49.59 144.87 5.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.558 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.5 t0 -172.12 24.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 123.13 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.61 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.31 136.36 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.167 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.84 120.01 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.529 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.27 133.45 37.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.5 ttm180 -117.27 146.85 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.423 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.737 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 40.9 t30 80.19 53.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.8 mm -96.6 124.82 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.317 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.26 161.29 79.16 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.416 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 41.6 Cg_endo -70.34 4.05 2.67 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.593 2.195 . . . . 1.0 112.227 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -116.19 27.43 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.805 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.29 137.91 31.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 1.0 110.988 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.14 142.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.479 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.5 t -54.86 -21.64 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.586 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -40.13 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.64 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.0 m -66.67 -56.3 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -50.93 -46.21 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.647 ' HA ' HD21 ' A' ' 36' ' ' LEU . 5.4 mtt -49.84 -59.15 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.9 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -34.85 69.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 34' ' ' ALA . 49.0 mt -101.08 7.34 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.013 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.93 59.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.645 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.06 -4.74 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.117 1.878 . . . . 1.0 112.211 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.9 m-85 -103.21 -26.5 12.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 176.06 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.44 83.16 7.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.616 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -63.15 -174.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.508 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -141.15 127.7 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.54 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' CE ' ' A' ' 27' ' ' MET . 2.2 t -49.44 -39.32 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.35 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -80.29 2.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.542 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 1.88 13.49 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.665 0.269 . . . . 1.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -138.44 126.37 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -132.87 119.63 20.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.791 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.87 108.01 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.4 tt -59.92 114.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.227 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -104.03 117.04 33.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.175 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.1 160.52 14.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.949 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 4.2 tppt? -87.82 -18.71 28.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.419 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -57.55 8.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.388 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.12 -5.88 46.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.071 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 1.0 OUTLIER 62.0 22.51 13.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.15 179.424 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 5.3 pt20 -176.57 178.49 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.446 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 18' ' ' ALA . 2.5 p30 -33.92 130.19 0.31 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.004 -0.544 . . . . 1.0 111.784 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 4.6 ttp180 -78.76 24.18 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.326 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 93.89 3.21 64.18 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.139 -0.553 . . . . 1.0 111.88 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -153.04 166.7 31.62 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 122.494 -0.415 . . . . 1.0 110.74 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.18 142.16 16.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.111 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.75 140.7 29.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.888 0.375 . . . . 1.0 110.677 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.43 128.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.345 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 11.4 tt0 -115.17 149.59 37.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.395 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -107.15 166.69 10.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.166 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -58.64 -37.42 75.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.269 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 49.3 m -136.73 172.86 12.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' MET . . . -75.69 -28.93 58.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.648 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -77.15 -21.63 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.618 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.02 -19.03 59.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.15 -54.75 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -36.77 83.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -59.74 -54.68 43.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.17 -23.1 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.75 -38.19 26.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.321 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -82.55 -28.98 30.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 1.0 110.16 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mt -74.8 -36.1 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.405 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.2 tp -82.81 -34.31 26.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.645 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -80.62 -12.34 59.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.378 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -28.43 66.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 1.0 110.072 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.98 137.84 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.159 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -56.13 34.87 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.172 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 59.6 Cg_endo -75.84 113.8 3.8 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.133 1.889 . . . . 1.0 112.021 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.55 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.877 1.718 . . . . 1.0 112.022 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 73' ' ' LEU . 38.8 tp -74.53 130.2 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.854 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -127.84 113.84 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 1.0 110.91 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' ASP . 69.4 mt -114.84 135.9 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 62.9 m-20 -32.09 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.4 0.437 . . . . 1.0 111.09 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.91 -56.7 0.55 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.737 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 2.0 pttt -175.43 -179.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 1.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 6.7 t -68.19 142.67 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.3 mm -123.14 140.11 47.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 171.55 13.81 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.22 140.32 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.78 0.324 . . . . 1.0 110.415 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -140.88 163.24 33.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.746 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 8.1 m-85 -82.09 172.95 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.44 170.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -153.53 -69.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 p 43.03 34.03 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.563 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.68 -65.17 0.7 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 179.5 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 1.0 110.497 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -101.06 -76.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -91.73 151.52 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.472 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 146.19 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -144.02 11.05 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.505 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -12.58 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.6 ttt -143.78 113.01 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -172.59 27.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.525 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.732 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.3 m -152.67 134.31 14.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.328 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -106.96 159.32 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' A' ' 90' ' ' ASP . 1.9 tt -131.82 144.66 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.49 146.13 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.393 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -128.37 147.61 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.7 t30 67.71 54.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -89.71 132.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.446 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -64.51 158.91 64.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.423 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 58.0 Cg_endo -72.83 -7.31 20.54 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.485 2.124 . . . . 1.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 46.3 t60 -106.61 22.74 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.874 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -87.51 140.12 29.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.29 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.402 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -23.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.64 -44.46 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.679 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.5 m -69.47 -41.46 76.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.02 -28.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.7 mmt -70.74 -60.28 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -66.77 -24.38 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.004 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -33.75 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.064 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.7 mt -101.74 7.5 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.963 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -53.82 60.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.631 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.65 -5.8 16.36 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.069 1.846 . . . . 1.0 112.193 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 93.1 m-85 -98.15 -27.9 13.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.741 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.12 -177.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.495 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.522 ' C ' HD23 ' A' ' 36' ' ' LEU . 5.8 t -114.14 130.85 56.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.55 -175.11 2.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.57 129.23 18.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -48.85 -39.36 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.459 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -81.88 3.92 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.586 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.75 1.13 12.14 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.608 -0.269 . . . . 1.0 110.809 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -134.47 129.63 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -132.46 105.61 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -89.16 105.56 17.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.142 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.78 144.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.568 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -116.42 145.86 42.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.241 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -109.61 154.88 22.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.883 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -90.75 -10.44 42.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.462 179.801 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.2 -57.74 3.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.773 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -108.0 8.34 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.414 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 21.5 mm-40 63.95 11.08 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.049 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -139.63 166.57 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.57 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -35.74 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.378 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -89.01 36.77 0.82 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.56 30.86 42.97 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.567 -0.613 . . . . 1.0 111.567 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 70.0 m-85 -156.14 147.4 22.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.771 0.32 . . . . 1.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.73 143.6 22.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.24 136.42 45.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.736 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.48 123.0 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -114.99 152.77 31.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 1.0 109.94 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.38 165.95 11.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 p -63.24 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.302 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -122.63 -177.87 3.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.726 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.86 -47.86 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.98 -39.41 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.657 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.53 -29.34 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.3 -56.49 10.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -61.74 -35.97 79.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -55.86 29.23 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.773 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.71 -25.58 67.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.294 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -39.31 28.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.358 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.76 -25.2 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.1 mt -77.61 -38.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.0 tp -80.59 -33.33 36.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -84.3 -12.19 55.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.596 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -27.84 65.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 1.0 109.944 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.18 138.46 47.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.097 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -57.12 19.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.294 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' PRO . 58.1 Cg_endo -74.34 114.52 4.05 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.053 1.835 . . . . 1.0 111.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.28 -175.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.957 1.771 . . . . 1.0 112.0 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.7 tp -79.15 118.09 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.124 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -119.73 115.94 24.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.671 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' ASP . 78.1 mt -117.55 136.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.729 -0.668 . . . . 1.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' ILE . 16.3 m-20 -31.35 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.533 0.52 . . . . 1.0 110.942 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.11 -56.22 0.55 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -177.85 -177.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 1.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -68.64 142.51 55.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.909 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.2 138.66 51.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.57 169.61 13.0 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.251 -0.74 . . . . 1.0 111.251 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.427 HG21 HD23 ' A' ' 73' ' ' LEU . 12.5 t -130.9 140.21 49.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 1.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -135.63 166.96 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.476 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.64 172.77 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . -58.57 108.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.0 -168.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 95' ' ' ALA . 78.7 p -142.9 90.15 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.2 -110.5 3.89 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.605 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 2.2 p-80 -139.57 123.82 17.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 1.0 110.506 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -46.74 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -64.93 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.631 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -62.07 -176.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.3 128.6 40.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.495 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -79.68 179.39 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.03 146.57 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.611 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.04 29.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.59 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -152.59 161.84 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.497 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -122.09 169.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.458 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' OD2' ' A' ' 90' ' ' ASP . 1.5 tt -147.44 138.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.603 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -92.44 142.57 27.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.271 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -128.26 149.53 50.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.684 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.61 56.4 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.797 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.45 147.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.482 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -86.86 160.67 49.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.702 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 61.0 Cg_endo -74.29 -0.29 9.45 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.776 2.317 . . . . 1.0 112.324 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 56.5 t-80 -99.82 15.82 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.218 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.563 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 28.4 m -87.71 129.41 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -129.01 142.35 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.502 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.1 t -41.84 -34.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -37.14 86.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.703 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' VAL . 22.4 m -73.8 -40.2 63.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.746 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.23 -51.27 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.71 -58.91 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -63.67 -33.87 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.289 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.63 70.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.139 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' ALA . 55.2 mt -102.88 7.31 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 1.0 110.974 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -54.21 55.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 111.681 0.252 . . . . 1.0 111.681 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -77.12 -6.17 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.14 1.894 . . . . 1.0 112.427 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.6 m-85 -100.54 -26.3 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 171.36 138.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.487 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -85.88 74.61 10.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -52.12 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.615 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -137.09 129.51 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.503 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.8 t -51.26 -39.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -80.95 1.87 29.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.433 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.8 t-20 -114.83 1.64 14.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.699 -0.228 . . . . 1.0 111.024 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -135.27 134.73 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.757 0.313 . . . . 1.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -124.85 113.88 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.89 101.03 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.07 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.85 97.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.012 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 146.12 29.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.723 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.98 161.49 15.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.678 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 12.6 tptt -90.77 -0.45 57.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.732 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -86.9 -57.86 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.74 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -107.6 19.66 19.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.267 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 16.8 mp0 41.96 28.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.086 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' A' ' 21' ' ' THR . 30.4 mt-30 -157.4 161.74 39.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.501 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -30.38 137.65 0.03 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.901 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -83.13 29.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 89.88 24.59 29.58 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 92.1 m-85 -158.15 145.56 18.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 1.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.68 144.45 23.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.629 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -106.93 142.24 36.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 p -142.47 138.7 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.761 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -128.65 152.33 48.5 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.302 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.82 167.53 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.068 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.4 p -58.46 -37.58 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -125.78 -178.02 4.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.647 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.17 -42.31 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.704 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -34.0 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.584 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.24 -35.9 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.55 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.533 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -65.35 -31.49 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -58.79 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -48.57 -27.3 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.42 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -35.23 45.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.144 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -82.65 -28.68 30.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.887 0.375 . . . . 1.0 110.322 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.57 -40.4 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.608 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.96 -32.65 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.21 -11.61 57.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.441 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -28.09 66.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 1.0 110.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -72.04 138.55 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.055 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -55.89 39.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.215 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.1 Cg_endo -77.48 114.3 3.69 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.192 1.928 . . . . 1.0 111.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.77 -175.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.916 1.744 . . . . 1.0 111.779 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.37 118.68 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.64 116.33 25.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.739 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.5 mt -115.86 136.17 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.475 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 82' ' ' ILE . 57.1 m-20 -33.49 104.06 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.383 0.427 . . . . 1.0 110.958 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.34 -56.49 0.54 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -174.06 -179.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.741 0.305 . . . . 1.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 t -70.64 142.57 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.636 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.47 134.2 64.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.675 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.79 173.21 14.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.42 -0.672 . . . . 1.0 111.42 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.38 139.54 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 1.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -144.13 158.08 43.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.498 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -74.33 173.06 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.522 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.91 152.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 mttt 54.34 179.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.1 m -137.4 128.8 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.57 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.797 0.332 . . . . 1.0 110.62 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 19.9 p-10 -174.01 33.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.689 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.68 143.35 22.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.3 164.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.464 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.515 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -144.73 138.15 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.646 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -95.14 140.85 29.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.102 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -125.49 149.34 48.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.754 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 t30 62.23 59.17 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.69 146.84 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 157.41 80.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.665 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.39 3.38 5.86 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.627 2.218 . . . . 1.0 112.333 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 58.8 t-80 -104.23 12.31 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.999 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -87.56 145.61 26.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.12 176.28 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.436 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.62 -28.0 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.623 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -41.15 70.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.773 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -63.13 -57.31 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.75 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.89 -35.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.788 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.431 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mmt -64.32 -58.88 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 m -68.61 -24.29 64.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 -34.39 66.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.314 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.0 mt -102.45 7.78 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.071 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.42 62.96 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.749 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.21 -4.79 14.61 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.127 1.884 . . . . 1.0 112.388 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.7 m-85 -99.41 -27.02 13.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.975 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 175.75 -179.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.619 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.476 ' C ' HD23 ' A' ' 36' ' ' LEU . 29.2 t -111.86 130.38 55.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.717 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.97 -179.19 3.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.412 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.94 17.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.9 t -48.62 -38.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.55 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.46 5.03 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.687 -0.233 . . . . 1.0 111.605 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.8 t-20 -118.3 0.92 11.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.555 -0.293 . . . . 1.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 pt -132.33 133.1 60.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 1.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -122.15 96.92 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.79 100.74 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.234 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.39 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.953 0.406 . . . . 1.0 111.279 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -87.18 28.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 91.0 29.78 12.23 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.489 -0.645 . . . . 1.0 111.489 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 94.3 m-85 -157.7 146.72 19.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.784 0.326 . . . . 1.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.99 139.83 18.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.471 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 2.2 m-85 -107.97 140.93 40.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.623 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 58' ' ' VAL . 4.3 p -142.94 128.67 16.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.79 152.21 29.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.107 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.46 165.97 11.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.182 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.188 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -127.98 -177.97 4.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.699 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.59 -48.87 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.65 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.1 mtt -57.21 -38.94 74.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.36 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.718 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.97 19.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.0 p -60.84 -37.93 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -55.36 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.756 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.93 -26.56 67.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -80.5 -36.94 32.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.31 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -82.68 -26.61 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.5 mt -76.9 -40.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.741 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 89' ' ' VAL . 5.1 tp -77.99 -33.04 51.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.956 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -84.36 -13.4 52.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -70.86 -26.04 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 1.0 110.115 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.6 137.57 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.802 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -55.93 36.14 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.254 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.8 Cg_endo -78.43 114.09 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.165 1.91 . . . . 1.0 112.052 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.38 -176.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.94 1.76 . . . . 1.0 111.725 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -84.48 120.28 26.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 123.07 18.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.959 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -126.54 153.28 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.51 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -34.51 103.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.928 0.394 . . . . 1.0 110.825 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.49 -62.7 0.44 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.56 -178.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.887 0.375 . . . . 1.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -71.11 143.23 50.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.73 133.8 67.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.694 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.49 174.01 15.44 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.293 -0.723 . . . . 1.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 73' ' ' LEU . 12.7 t -133.17 140.26 47.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.723 0.297 . . . . 1.0 110.417 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.54 161.56 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.616 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 25.8 m-85 -78.87 172.53 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.456 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.486 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.749 0.309 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -174.8 31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -152.81 139.07 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.55 163.63 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 2.9 tt -147.31 126.79 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 1.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.5 mt -83.45 144.74 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -126.29 149.35 49.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.485 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 62.15 60.53 1.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -102.38 156.94 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.15 159.9 50.05 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 72.7 Cg_endo -75.55 2.73 6.58 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.596 2.198 . . . . 1.0 112.563 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 20.8 t-80 -106.97 21.13 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.086 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -87.79 139.07 30.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.817 0.341 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.15 142.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.361 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.66 -23.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 1.0 110.707 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -50.99 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.772 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -68.44 -40.87 80.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.811 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.65 -27.31 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.685 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.413 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.5 mmt -74.77 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.736 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -64.51 -24.06 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.077 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 -33.82 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.143 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -102.24 7.84 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -53.54 63.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.728 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -78.06 -4.47 14.4 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.124 1.883 . . . . 1.0 112.16 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.5 -28.47 12.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.965 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.84 -176.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.706 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -118.21 129.86 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.317 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.38 -177.35 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.514 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.19 129.98 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.402 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.87 -39.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.658 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -83.46 4.87 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.9 t-20 -118.33 0.05 11.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 9.6 pt -126.44 141.62 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.734 0.302 . . . . 1.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -132.09 105.04 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.99 114.94 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.942 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.03 0.443 . . . . 1.0 111.462 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -89.41 32.88 0.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 90.86 31.56 9.9 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 74.8 m-85 -155.89 147.03 22.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.915 0.388 . . . . 1.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.23 130.05 17.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.476 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 3.4 m-85 -101.73 135.24 43.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 4.3 p -142.67 138.95 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.955 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.513 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 15.5 tt0 -121.4 152.48 38.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.035 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.6 mm? -108.8 165.25 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.118 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -59.85 -37.72 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.046 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 m -124.79 -177.94 4.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.96 -48.82 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ttt -58.58 -42.06 87.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -49.54 -35.19 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.24 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -65.32 -37.95 88.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.352 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -53.97 51.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.786 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -58.99 -23.33 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.327 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -37.28 28.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.76 -28.38 30.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 1.0 110.385 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.29 -42.04 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 89' ' ' VAL . 4.9 tp -76.97 -32.54 57.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.97 -10.32 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 1.0 110.522 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -68.61 -29.89 68.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.03 0.443 . . . . 1.0 109.961 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.5 138.89 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.988 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -56.62 28.56 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.27 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 67.1 Cg_endo -76.65 114.25 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.083 1.856 . . . . 1.0 112.004 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.0 Cg_exo -48.37 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.75 1.633 . . . . 1.0 111.853 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.9 tp -79.3 122.13 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 1.0 109.951 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 121.04 34.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.588 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.0 mt -121.25 135.93 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.654 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.8 m-20 -33.01 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.417 0.448 . . . . 1.0 110.863 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.42 -58.13 0.53 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -172.19 -179.74 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 1.0 110.678 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 140.9 51.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.48 132.19 69.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.684 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.92 173.4 15.55 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG21 HD23 ' A' ' 73' ' ' LEU . 4.8 t -131.41 140.04 49.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.804 0.335 . . . . 1.0 110.614 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.11 159.9 42.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.561 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.73 172.98 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.776 0.322 . . . . 1.0 110.458 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -175.42 37.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.876 0.369 . . . . 1.0 110.767 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 139.15 18.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.447 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -106.91 158.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.216 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -138.32 144.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.944 0.402 . . . . 1.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.63 139.07 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.131 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.59 149.65 48.19 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.548 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 56.8 t30 63.65 57.3 1.44 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.976 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.15 156.57 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.311 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -91.74 159.86 37.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.735 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 67.0 Cg_endo -74.98 2.45 6.6 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.734 2.29 . . . . 1.0 112.164 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 78.6 t60 -103.46 20.12 18.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.064 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 m -87.41 137.36 32.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.609 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.39 142.74 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -48.66 -21.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.18 -54.22 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -64.31 -48.99 73.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.735 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -53.07 -31.53 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.82 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.3 mmt -73.15 -58.54 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -24.24 65.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.086 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.87 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.322 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.52 7.86 42.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.072 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -53.21 63.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.812 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -78.16 -3.17 13.19 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.106 1.871 . . . . 1.0 112.172 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 89.4 m-85 -100.53 -26.87 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.818 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.07 -179.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.427 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.15 133.69 53.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.46 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.71 176.25 5.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.532 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.13 129.89 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.5 t -48.39 -39.61 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.554 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.54 4.38 24.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.623 -0.262 . . . . 1.0 111.554 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.32 0.67 12.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.658 -0.246 . . . . 1.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 pt -131.26 134.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 120.739 0.305 . . . . 1.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -123.44 101.5 7.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.01 101.34 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.708 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 44' ' ' ILE . 8.6 tt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.576 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.839 0.352 . . . . 1.0 111.353 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -91.22 32.51 1.03 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.77 24.17 39.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.142 -0.783 . . . . 1.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 96.9 m-85 -158.8 145.58 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 1.0 110.653 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.47 140.63 22.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -107.28 134.34 50.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.13 126.1 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.512 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -112.24 152.4 28.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.133 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -110.08 165.62 11.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.099 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -58.57 -37.84 76.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.15 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -128.37 -178.0 4.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.592 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 -43.15 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.629 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -34.94 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.53 -35.27 77.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -52.87 62.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -62.57 -39.51 93.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -54.96 39.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.4 -24.8 67.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -39.55 27.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.268 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -82.73 -27.1 31.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.885 0.374 . . . . 1.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.48 -38.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.571 HD21 HD22 ' A' ' 80' ' ' LEU . 6.1 tp -80.85 -34.53 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.753 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.83 -10.79 59.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 1.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -70.44 -24.57 62.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.41 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.01 134.96 50.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -57.06 11.08 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.746 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -79.08 150.21 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.985 1.79 . . . . 1.0 111.455 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.96 166.75 29.19 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.065 1.843 . . . . 1.0 111.422 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 HD21 ' A' ' 73' ' ' LEU . 60.4 tp -61.0 122.54 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.527 -0.469 . . . . 1.0 109.878 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -116.31 131.09 57.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.225 0.536 . . . . 1.0 110.806 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASP . 83.2 mt -135.26 133.9 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.396 -0.82 . . . . 1.0 108.871 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' ILE . 43.3 m-20 -34.38 103.88 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.322 0.389 . . . . 1.0 110.738 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.28 -48.94 0.71 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.027 -0.606 . . . . 1.0 111.793 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.548 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER 177.39 -175.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.887 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.8 t -74.0 141.16 45.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.657 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.51 135.23 61.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.89 173.34 15.11 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.428 -0.669 . . . . 1.0 111.428 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 73' ' ' LEU . 14.4 t -132.6 140.32 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 1.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.92 160.88 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.499 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.1 m-85 -78.38 173.0 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.335 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.575 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 ttp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.856 0.36 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -158.98 27.28 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.485 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.83 134.61 14.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pt -106.84 158.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.43 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.56 140.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.21 143.9 26.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.419 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -122.41 147.4 46.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.615 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.423 ' O ' HD13 ' A' ' 87' ' ' ILE . 46.7 t30 75.84 55.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.04 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -100.3 133.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 1.0 110.845 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -72.27 161.11 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.131 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 56.9 Cg_endo -72.45 -5.13 16.56 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.559 2.173 . . . . 1.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 19.5 t-80 -104.4 21.99 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.934 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.84 143.26 27.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.935 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.17 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.615 HG22 HD23 ' A' ' 43' ' ' LEU . 9.1 t -48.36 -24.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.555 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -34.34 62.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 m -73.84 -32.31 63.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -84.9 -24.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.8 mmm -70.47 -57.16 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.695 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -64.94 -24.64 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.927 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.37 65.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.962 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.2 mt -101.77 7.57 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -53.22 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.792 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.07 -5.56 15.24 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.186 1.924 . . . . 1.0 112.424 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -93.45 -26.98 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.69 -171.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.495 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.5 123.23 48.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.45 173.16 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.433 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.25 128.44 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -49.03 -38.75 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.493 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -82.37 4.98 21.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.583 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.9 0.83 12.0 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.878 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 6.1 pt -133.5 130.5 56.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.5 142.53 49.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.89 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.615 HD23 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -108.43 110.31 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.75 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.773 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.888 0.375 . . . . 1.0 111.063 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -80.83 25.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.146 0.498 . . . . 1.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 92.11 26.33 19.21 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.297 -0.721 . . . . 1.0 111.297 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' GLY . 45.0 m-85 -153.4 146.26 24.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 1.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.68 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.96 132.02 46.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.765 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.69 152.66 28.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.152 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 69' ' ' LEU . 4.4 mm? -108.08 166.22 10.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.194 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -37.04 82.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.197 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -127.49 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.36 -35.44 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -29.12 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -34.76 78.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.754 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.22 -53.33 59.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -56.04 20.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.768 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.12 -25.2 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.249 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -78.98 -38.01 37.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.47 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.58 -28.42 30.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -70.52 -42.79 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.7 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.432 HD21 HD22 ' A' ' 80' ' ' LEU . 3.6 tp -76.21 -35.55 59.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.64 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.87 -8.78 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.305 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -74.31 -26.4 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.244 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.24 138.59 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.849 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -56.74 23.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.066 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 74.3 Cg_endo -77.51 114.1 3.65 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.09 1.86 . . . . 1.0 111.785 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.95 -178.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.802 1.668 . . . . 1.0 111.814 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 73' ' ' LEU . 51.4 tp -81.27 121.06 25.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 121.71 37.36 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.778 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -122.31 133.74 67.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.512 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 81.5 m-20 -31.15 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.536 0.522 . . . . 1.0 111.0 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.83 -59.23 0.53 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -172.87 173.64 3.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 1.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t -63.47 142.57 58.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.58 131.72 71.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.714 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.69 163.85 12.11 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.338 -0.705 . . . . 1.0 111.338 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.85 139.71 42.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.55 166.39 25.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 1.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 70' ' ' LEU . 11.8 m-85 -87.14 173.08 9.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.488 179.745 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 ttt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.947 0.404 . . . . 1.0 110.552 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 6.7 p30 -175.08 26.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 2.0 m -153.15 135.08 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.385 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.82 156.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 tt -134.13 144.56 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.387 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.88 140.87 35.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.0 ttm180 -121.44 146.67 46.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.1 t30 80.04 52.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 mm -98.02 127.14 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.553 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.84 91.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.54 13.37 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.419 2.08 . . . . 1.0 111.986 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -120.75 19.65 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.515 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.5 m -87.37 149.05 24.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.906 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 142.51 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.245 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.4 t -45.08 -28.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -54.47 14.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 1.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 m -50.82 -49.95 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.74 -44.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.443 ' HG2' HD12 ' A' ' 36' ' ' LEU . 32.9 mtp -58.79 -60.24 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.026 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -55.98 -25.63 44.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.154 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.03 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 mt -101.21 7.18 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.68 52.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.616 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -77.17 -5.38 15.72 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.185 1.923 . . . . 1.0 112.422 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 73' ' ' LEU . 73.0 m-85 -92.48 -29.97 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.47 -171.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p -106.74 119.32 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.369 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.54 172.12 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.49 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.11 128.44 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.47 -38.72 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.362 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.86 1.79 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.609 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.3 t-20 -114.19 0.91 14.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.682 -0.236 . . . . 1.0 110.996 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -130.63 136.1 59.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 1.0 110.542 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -132.07 123.77 27.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 102.67 14.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.02 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' ILE . 3.1 tt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.979 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.876 0.37 . . . . 1.0 111.468 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -86.5 29.29 0.78 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.466 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 86.23 20.93 53.9 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 31.3 m-85 -151.58 147.51 26.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 1.0 110.702 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.88 135.64 33.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -103.09 133.59 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 1.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.91 125.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 1.2 mp0 -110.49 152.21 26.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.158 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.98 166.15 11.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.33 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.81 -178.74 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.34 -29.2 23.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptm -78.76 -20.13 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -10.58 59.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.731 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.17 -55.38 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -38.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -59.21 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.78 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -51.7 -28.19 14.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.915 0.388 . . . . 1.0 110.379 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 89' ' ' VAL . 1.1 tp -71.44 -38.74 71.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.188 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -81.31 -47.49 13.25 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.02 -39.84 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.505 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.442 HD12 ' CE2' ' A' ' 33' ' ' TYR . 4.4 tp -81.23 -42.65 20.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.53 -11.99 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' GLN . 4.6 t -71.1 -27.11 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.485 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.28 137.04 44.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.168 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -52.94 -60.25 7.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' PRO . 48.1 Cg_endo -70.24 114.14 3.68 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.047 1.831 . . . . 1.0 111.879 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.7 Cg_exo -47.88 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.789 1.659 . . . . 1.0 111.949 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HB2' HD21 ' A' ' 73' ' ' LEU . 57.3 tp -79.34 122.29 26.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.063 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -116.89 131.86 56.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.762 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' ASP . 85.4 mt -135.57 134.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.901 -0.777 . . . . 1.0 108.901 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' ILE . 3.2 m-20 -34.26 103.97 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.287 0.367 . . . . 1.0 110.67 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.47 -49.51 0.74 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.923 -0.656 . . . . 1.0 111.892 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 178.86 -175.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.66 -0.416 . . . . 1.0 111.043 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -74.05 142.89 45.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.89 138.82 50.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.4 171.66 13.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.462 HG12 HD12 ' A' ' 70' ' ' LEU . 1.5 t -125.41 138.11 55.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.673 0.273 . . . . 1.0 110.438 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.75 161.65 35.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.527 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 70' ' ' LEU . 5.3 m-85 -79.48 172.89 13.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.446 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.519 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.8 ptt? . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.819 0.343 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -169.55 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.625 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -151.53 128.05 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -106.87 129.52 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.302 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 tt -102.58 144.67 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.95 144.67 30.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -126.21 148.06 49.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.291 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' O ' HD13 ' A' ' 87' ' ' ILE . 51.2 t30 73.86 53.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.27 117.51 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.258 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -65.91 162.49 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.533 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 47.0 Cg_endo -70.92 0.1 7.03 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.645 2.23 . . . . 1.0 112.136 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 81.9 t60 -108.47 21.91 16.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.825 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -87.17 135.34 33.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 145.14 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.23 -21.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.581 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -47.54 73.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.681 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -69.28 -42.02 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.703 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.61 -25.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.752 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.0 mmt -74.92 -59.66 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.755 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -67.46 -24.2 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.038 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.94 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.162 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.9 mt -102.03 7.53 41.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.106 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -53.41 61.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.56 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.13 -5.27 15.66 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.043 1.829 . . . . 1.0 112.155 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.6 m-85 -99.75 -27.27 13.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.735 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.4 -177.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.657 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.542 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.78 131.43 56.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.94 -178.77 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.411 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.06 128.67 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' VAL . 7.3 t -49.26 -38.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.343 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -81.75 3.62 25.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 1.0 111.54 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.52 1.6 12.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.636 -0.257 . . . . 1.0 110.925 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 pt -133.66 132.59 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.78 0.324 . . . . 1.0 110.436 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -132.36 104.36 6.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.469 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.77 105.22 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.602 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.792 0.329 . . . . 1.0 111.828 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -85.29 28.81 0.7 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.45 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 80.01 22.14 64.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 62.4 m-85 -155.75 147.29 22.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.876 0.369 . . . . 1.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.74 143.35 31.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.544 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.53 131.56 54.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 126.51 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.86 152.35 26.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.175 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.65 165.88 11.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.199 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 t -60.95 -36.88 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.199 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -177.99 4.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.57 -48.4 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.689 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.86 -43.74 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.684 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.93 49.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.82 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.9 p -71.47 -31.89 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -53.84 21.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.669 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.45 -22.06 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.301 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.84 26.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.243 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -82.55 -30.29 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 1.0 110.183 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.86 -35.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -82.74 -35.15 26.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.87 -11.89 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.433 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -67.24 -29.99 69.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 1.0 109.983 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.88 138.34 48.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.031 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -56.07 37.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.0 Cg_endo -76.47 114.27 3.84 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.026 1.817 . . . . 1.0 111.961 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.6 Cg_exo -47.91 -177.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.866 1.711 . . . . 1.0 111.96 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 73' ' ' LEU . 42.6 tp -74.75 123.15 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.026 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -123.75 116.29 22.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 1.0 110.946 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 83' ' ' ASP . 77.6 mt -116.2 136.08 54.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 1.0 109.342 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' ILE . 29.6 m-20 -33.36 104.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.385 0.428 . . . . 1.0 110.933 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.88 -56.83 0.53 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -174.5 178.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.0 110.69 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.74 141.37 56.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.17 136.65 56.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.675 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.59 171.25 13.63 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.117 -0.793 . . . . 1.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.17 140.14 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 1.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 152.82 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.532 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -72.26 172.92 9.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 1.0 110.69 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -168.54 41.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.597 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -152.81 145.09 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.8 164.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.348 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.413 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -145.21 138.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 1.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.4 mt -95.68 138.61 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.136 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -125.42 150.56 47.16 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 63.1 56.03 1.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.802 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -98.27 151.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.82 159.09 49.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.742 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 65.7 Cg_endo -74.71 4.73 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.552 2.168 . . . . 1.0 112.379 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 83.5 t60 -107.39 19.66 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.088 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -87.74 138.89 31.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.692 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -135.14 142.31 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.599 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -45.6 -22.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' VAL . 13.7 t70 -68.64 -43.14 76.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -72.71 -55.47 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.56 -26.13 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 mmt -76.31 -60.65 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -67.89 -24.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.036 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.41 67.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.249 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -100.56 7.2 44.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.966 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -54.14 56.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.6 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.1 -6.43 17.3 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.115 1.877 . . . . 1.0 112.112 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 90.1 m-85 -96.57 -26.43 15.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.67 179.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.407 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.36 126.95 55.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.551 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.689 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.57 176.53 5.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.241 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.85 128.59 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -49.37 -39.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.318 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 2.17 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.538 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.4 t-20 -115.19 1.91 13.96 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.629 -0.26 . . . . 1.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.488 HG22 HG23 ' A' ' 58' ' ' VAL . 7.4 pt -133.87 141.7 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 120.848 0.356 . . . . 1.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.52 98.36 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.82 100.02 12.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.225 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.882 0.372 . . . . 1.0 111.528 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -83.27 27.99 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.88 23.14 42.98 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.261 -0.736 . . . . 1.0 111.261 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 78.8 m-85 -157.56 146.96 20.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.319 . . . . 1.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.85 146.47 27.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.682 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.8 m-85 -113.62 141.51 47.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.432 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 HG22 ' A' ' 41' ' ' ILE . 14.1 p -142.72 139.33 28.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.931 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 60' ' ' LEU . 35.2 tt0 -119.34 152.37 36.87 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.205 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.4 mm? -111.98 165.94 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.199 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -59.1 -37.63 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -136.9 -177.93 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.664 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.36 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.68 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -38.48 65.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.764 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -43.91 95.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.724 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -50.48 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 p -63.02 -35.3 79.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.87 6.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.732 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -52.06 -30.12 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.446 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -77.14 -35.35 56.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.69 -26.86 31.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 1.0 110.493 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.41 -39.2 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 HG21 ' A' ' 89' ' ' VAL . 19.9 tp -79.16 -33.24 44.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 97.6 mt-30 -81.75 -13.53 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -26.17 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 1.0 109.94 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.24 137.52 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.054 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -55.56 43.05 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.9 Cg_endo -77.92 114.17 3.57 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.074 1.849 . . . . 1.0 111.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.3 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 121.829 1.686 . . . . 1.0 111.911 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.5 tp -81.34 118.98 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.95 38.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.998 0.428 . . . . 1.0 110.741 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.9 mt -123.29 136.59 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.498 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.4 m-20 -31.08 104.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 111.007 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.17 -60.44 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.74 176.94 2.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.35 . . . . 1.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -63.6 140.33 58.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.749 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.44 134.1 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.568 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.52 173.42 15.02 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.361 -0.696 . . . . 1.0 111.361 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.641 HG21 HD23 ' A' ' 73' ' ' LEU . 12.6 t -132.09 139.91 49.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.374 . . . . 1.0 110.306 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.03 157.96 44.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -74.9 172.95 11.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.554 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.2 ttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.38 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 9.1 p30 -167.28 23.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.703 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -153.01 136.77 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.273 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.85 159.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.406 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 13' ' ' ILE . 2.8 tt -132.84 144.55 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.41 143.34 30.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -123.88 148.7 46.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.493 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 72.21 60.58 0.13 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.024 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 20.3 mm -102.05 142.31 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.574 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -78.03 159.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.251 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 57.9 Cg_endo -72.68 8.73 1.48 Allowed 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.637 2.224 . . . . 1.0 112.36 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -119.66 26.27 9.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.638 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 2.2 m -87.78 137.65 32.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.818 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.19 159.52 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.401 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.98 -24.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -27.59 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.758 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -75.06 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.676 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 mm -85.22 -24.21 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.476 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.7 mmt -71.52 -55.91 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -68.04 -24.7 65.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.092 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -36.41 60.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.47 7.71 40.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.7 0.286 . . . . 1.0 111.315 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -54.29 56.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.56 -0.291 . . . . 1.0 111.68 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.79 -5.23 15.79 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.135 1.89 . . . . 1.0 112.164 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.3 m-85 -98.54 -28.62 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.93 -177.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.458 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.057 179.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.716 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.24 -174.68 2.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.65 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.69 129.13 17.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.418 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -48.72 -38.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.484 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.99 5.2 22.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.65 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.5 t-20 -118.48 0.31 11.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.586 -0.279 . . . . 1.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.83 127.69 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.77 128.28 36.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.723 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.5 140.67 29.3 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.3 tt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.766 0.317 . . . . 1.0 111.366 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.526 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 11.4 mtp85 -86.9 26.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.574 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 96.78 5.12 58.78 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.043 -0.598 . . . . 1.0 112.181 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -141.97 165.99 25.95 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.147 0.474 . . . . 1.0 110.845 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.79 146.43 22.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -105.77 133.03 51.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.482 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.03 122.76 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -110.35 152.26 26.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.035 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -108.79 165.43 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.7 m -61.81 -36.91 82.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.163 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m -115.24 175.51 5.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.523 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.85 21.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.405 ' CE ' HE21 ' A' ' 68' ' ' GLN . 5.0 ttt -76.44 -42.2 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.5 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.37 -23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.14 -60.05 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 p -61.33 -34.08 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.44 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.405 HE21 ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -64.23 -55.21 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.789 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -22.01 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.588 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.21 -36.55 39.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -82.32 -28.42 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.3 mt -71.0 -36.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.599 HD23 HG21 ' A' ' 89' ' ' VAL . 17.3 tp -83.26 -33.79 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.657 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.81 -11.51 59.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -70.47 -28.49 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 1.0 110.113 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.08 138.14 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.981 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -59.71 -53.88 61.26 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.304 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 75.2 Cg_endo -79.28 113.9 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.077 1.851 . . . . 1.0 111.856 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.17 -177.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 121.826 1.684 . . . . 1.0 111.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' ' 73' ' ' LEU . 59.2 tp -78.76 122.64 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.835 -0.431 . . . . 1.0 109.835 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.63 116.16 24.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.758 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' ASP . 91.1 mt -115.87 135.81 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.463 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 74.0 m-20 -32.72 104.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.392 0.432 . . . . 1.0 111.104 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.57 -56.7 0.55 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -173.9 177.88 2.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 1.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -68.57 142.55 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.18 134.46 62.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.661 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.97 161.83 12.63 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.599 HG21 HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -114.99 141.98 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.682 0.277 . . . . 1.0 110.5 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.57 160.77 39.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.94 172.88 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.881 0.372 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -173.79 27.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.614 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.75 144.45 23.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.444 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.61 165.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.3 tt -148.28 127.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.503 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.1 mt -86.32 150.64 24.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.775 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -131.72 149.78 52.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.348 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.6 t30 71.0 56.72 0.21 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.067 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mm -99.02 126.44 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 20' ' ' HIS . . . -61.51 122.63 72.15 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.201 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HA ' HD21 ' A' ' 52' ' ' ASN . 75.2 Cg_exo -44.85 -10.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.958 1.772 . . . . 1.0 112.624 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 18' ' ' ALA . 53.6 t-80 -96.51 16.92 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 111.291 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -87.43 152.42 22.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.351 . . . . 1.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.33 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.394 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.06 -24.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.616 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -46.85 82.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.688 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 m -72.22 -59.36 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.89 -27.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 36' ' ' LEU . 6.7 mmm -77.33 -58.5 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.793 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -59.16 -24.27 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.932 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -32.08 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.24 7.43 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.948 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -52.55 60.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.694 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.06 -3.08 13.14 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.176 1.918 . . . . 1.0 112.382 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.4 m-85 -96.92 -28.09 14.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.829 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.9 -170.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.48 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.497 ' C ' HD23 ' A' ' 36' ' ' LEU . 37.8 t -108.63 119.4 39.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.235 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -107.42 164.37 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.529 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.23 130.99 19.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.544 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 38' ' ' VAL . 4.7 t -48.46 -40.34 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.402 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -81.58 2.64 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.591 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 2.01 13.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.624 -0.262 . . . . 1.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 HG23 ' A' ' 58' ' ' VAL . 8.4 pt -131.23 137.3 55.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.657 0.265 . . . . 1.0 110.378 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.0 117.2 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.44 106.9 18.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.84 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.2 tt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.525 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.2 p30 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.723 0.296 . . . . 1.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 26.6 mtp180 -83.0 26.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.542 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 96.56 4.75 59.21 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 121.071 -0.585 . . . . 1.0 111.696 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -136.33 167.46 21.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 1.0 110.603 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -154.94 133.93 12.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.25 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.54 135.89 41.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.69 HG23 HG22 ' A' ' 41' ' ' ILE . 3.8 p -142.61 135.06 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.76 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.49 148.24 42.81 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -106.38 165.88 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.081 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.2 t -63.99 -36.0 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.245 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -123.41 -177.81 3.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.757 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.87 -48.87 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.881 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.17 -40.05 88.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.902 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.95 -40.69 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -56.78 17.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -60.89 -39.92 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -55.24 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.17 -25.11 65.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 1.0 110.166 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -80.23 -37.11 33.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.22 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.74 -27.33 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.64 -42.0 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 89' ' ' VAL . 5.8 tp -76.92 -32.08 57.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.814 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.551 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.4 mt-30 -85.05 -10.55 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.97 65.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 1.0 109.955 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.72 137.74 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.993 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -56.49 29.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.044 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.9 Cg_endo -76.39 114.49 3.89 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.087 1.858 . . . . 1.0 111.883 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 78' ' ' PRO . 53.1 Cg_exo -47.81 -177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.83 1.687 . . . . 1.0 111.828 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.72 120.93 24.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.664 -0.414 . . . . 1.0 109.933 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -122.26 117.42 26.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.853 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.5 mt -118.6 135.43 59.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.447 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 10.2 m-20 -31.7 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.473 0.483 . . . . 1.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.1 -57.46 0.52 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.08 -177.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 1.0 110.604 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -71.79 139.27 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -116.51 133.62 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.47 174.15 15.54 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.66 -0.576 . . . . 1.0 111.66 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG21 HD23 ' A' ' 73' ' ' LEU . 10.7 t -132.28 140.15 48.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.359 . . . . 1.0 110.471 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.02 157.87 44.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.626 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -76.94 172.93 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 18.6 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.03 0.443 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -168.81 30.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -152.76 138.87 18.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.245 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -106.78 158.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.229 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.448 ' C ' HD23 ' A' ' 14' ' ' LEU . 6.9 tt -135.5 138.53 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.601 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -99.3 133.52 43.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.172 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -121.34 153.21 38.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.843 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.01 56.34 3.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.4 153.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.617 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -85.74 160.26 53.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 65.2 Cg_endo -74.73 -0.72 10.2 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.681 2.254 . . . . 1.0 112.433 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.74 20.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.135 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -88.03 138.4 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.727 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.1 142.45 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.462 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -52.76 -23.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.87 -46.5 84.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -70.46 -47.43 60.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.599 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.36 -27.81 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.42 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.5 mmt -74.52 -58.26 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.654 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -66.54 -24.19 66.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.38 -32.99 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.258 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -103.5 8.12 37.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -52.76 65.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.464 -0.335 . . . . 1.0 111.764 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.75 -3.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.147 1.898 . . . . 1.0 112.396 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -103.61 -27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.961 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.14 -178.1 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.654 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -118.81 127.55 53.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.56 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.01 129.54 17.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.464 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.29 -39.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 1.0 111.464 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -81.84 -0.54 43.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.687 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -112.25 0.71 15.85 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.66 -0.246 . . . . 1.0 111.178 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 58' ' ' VAL . 15.4 pt -123.51 138.51 53.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 1.0 110.643 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -132.01 114.61 14.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 100.64 11.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.054 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.686 ' O ' HG23 ' A' ' 44' ' ' ILE . 5.9 tt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.239 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.821 0.344 . . . . 1.0 111.048 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -86.58 36.06 0.69 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 37.39 14.73 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.41 159.56 33.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 1.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB3' HD12 ' A' ' 14' ' ' LEU . . . -157.86 152.5 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.568 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 3.1 m-85 -124.62 129.74 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.345 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.62 139.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.688 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -124.0 152.5 42.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.125 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.75 164.87 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.07 86.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.102 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -118.62 176.18 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -29.21 23.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.753 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mtm -75.53 -45.78 36.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -34.35 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.572 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -58.24 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.546 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -60.25 -38.93 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.306 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.8 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.2 -28.56 62.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.338 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -38.1 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.585 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.72 -30.38 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 mt -68.91 -42.38 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.606 HD21 HD22 ' A' ' 80' ' ' LEU . 4.4 tp -77.16 -35.52 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.672 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -81.65 -7.76 59.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.409 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.89 -26.33 61.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.463 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.23 136.61 56.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.47 -57.6 10.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.57 -0.452 . . . . 1.0 110.594 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.42 148.62 23.74 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.922 1.748 . . . . 1.0 111.407 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.64 165.56 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.022 1.815 . . . . 1.0 111.485 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.606 HD22 HD21 ' A' ' 73' ' ' LEU . 61.4 tp -61.51 115.86 4.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.6 tmtt? -114.36 115.77 27.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.018 0.437 . . . . 1.0 111.242 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' ASP . 86.5 mt -116.88 136.43 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.523 -0.762 . . . . 1.0 109.158 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ILE . 1.3 m-20 -33.06 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.423 . . . . 1.0 110.799 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.62 -54.84 0.56 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -177.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -70.3 142.51 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -123.22 136.92 58.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.48 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.1 161.33 13.49 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.291 -0.724 . . . . 1.0 111.291 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.72 137.91 54.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.693 0.282 . . . . 1.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.19 162.83 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 21.0 m-85 -74.93 172.78 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.55 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.662 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.4 ttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.0 0.428 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -165.49 30.36 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.484 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.4 m -152.79 138.1 17.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.36 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.592 HD11 ' HB1' ' A' ' 66' ' ' ALA . 25.8 mm -106.98 160.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.342 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 12' ' ' ILE . 5.1 tt -142.42 122.64 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.04 146.2 35.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.568 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -125.71 148.49 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 87' ' ' ILE . 55.9 t30 70.51 59.49 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.358 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 87' ' ' ILE . 34.6 mm -98.05 136.93 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.355 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.89 159.52 85.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.4 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.5 Cg_endo -72.07 0.2 7.59 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.587 2.192 . . . . 1.0 112.171 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -115.33 29.57 7.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.677 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -87.45 140.11 29.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.97 142.3 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -21.49 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.9 -60.73 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -63.85 -57.17 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -45.04 -31.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.701 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.3 mmm -78.1 -58.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 1.0 110.739 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -61.07 -24.34 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.984 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.83 -32.71 65.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.956 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.17 7.56 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -52.7 61.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.66 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.1 -2.73 12.81 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.159 1.906 . . . . 1.0 112.359 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.47 -27.07 14.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.49 -170.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 1.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -108.21 123.66 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.34 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.48 171.35 7.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.602 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.09 128.24 16.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.339 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.8 t -49.54 -39.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.37 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.3 1.63 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.578 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.9 t-20 -114.28 1.65 14.54 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 41' ' ' ILE . 4.8 pt -135.17 127.55 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 1.0 110.517 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -132.74 130.09 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.698 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -93.31 137.68 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.434 . . . . 1.0 109.927 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.437 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.857 0.361 . . . . 1.0 110.953 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -86.45 24.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 1.0 110.75 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 91.61 29.79 11.55 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.401 -0.679 . . . . 1.0 111.401 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 58.7 m-85 -156.77 147.0 21.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 1.0 111.064 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.11 139.65 30.52 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.34 136.02 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.18 134.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.441 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -120.81 152.78 37.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 69' ' ' LEU . 4.6 mm? -108.98 165.39 11.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.041 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -37.7 82.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.149 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 -177.92 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.513 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.51 -49.35 11.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.764 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttp -58.52 -39.58 80.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.723 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.81 -29.06 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 12' ' ' ILE . . . -70.12 -47.48 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.26 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.475 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.59 -58.36 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.716 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -53.74 -26.59 24.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.319 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -76.4 -37.95 56.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.5 tt0 -82.68 -26.86 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.793 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.2 mt -72.1 -40.7 67.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -78.83 -35.56 43.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -81.67 -9.01 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.153 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -73.73 -24.62 59.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.542 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.58 135.29 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -56.91 14.13 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.795 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.68 140.63 21.21 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.849 1.699 . . . . 1.0 111.702 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.37 166.07 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.028 1.818 . . . . 1.0 111.613 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 87' ' ' ILE . 54.9 tp -63.43 126.83 28.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.692 -0.484 . . . . 1.0 109.692 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 81' ' ' LYS . 1.6 tptt -137.9 122.93 19.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.139 0.495 . . . . 1.0 111.005 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -127.39 148.89 32.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.367 -0.975 . . . . 1.0 108.367 178.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.9 m-20 -35.33 102.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.807 0.337 . . . . 1.0 110.672 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.34 -57.88 0.45 Allowed Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.793 -0.717 . . . . 1.0 111.898 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.06 -174.77 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.784 -0.366 . . . . 1.0 111.064 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -73.98 142.5 45.83 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.507 HG21 HD23 ' A' ' 80' ' ' LEU . 3.2 mm -123.89 135.52 63.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.109 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.17 167.39 12.62 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.304 -0.719 . . . . 1.0 111.304 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.424 HG12 HD12 ' A' ' 70' ' ' LEU . 1.4 t -121.78 138.2 52.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.708 0.29 . . . . 1.0 110.429 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.69 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -75.17 169.13 18.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.631 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.1 ttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.957 0.408 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -175.76 36.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.46 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -152.77 142.16 21.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.478 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.7 140.32 27.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 57' ' ' PHE . 3.6 mm -115.87 112.06 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.345 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.5 mt -78.16 138.2 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.297 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.1 ttm180 -123.06 146.59 47.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.468 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' O ' HD13 ' A' ' 87' ' ' ILE . 41.1 t30 77.33 52.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.193 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 mm -95.59 134.77 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.0 110.387 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -69.72 158.84 86.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.261 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.29 7.11 2.3 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.47 2.113 . . . . 1.0 112.206 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 69.2 t60 -123.45 29.74 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -87.36 145.63 26.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.806 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.08 142.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.336 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.1 t -52.09 -23.6 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.646 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -35.59 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -74.48 -33.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.06 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -85.02 -24.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.834 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.0 mmm -73.89 -57.13 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.668 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.0 m -64.57 -24.45 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.67 -32.42 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -100.24 7.29 44.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.915 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -52.64 61.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.66 -3.48 13.62 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.061 1.841 . . . . 1.0 112.309 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 73' ' ' LEU . 71.9 m-85 -94.78 -28.81 15.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.56 -169.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.503 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.63 123.21 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.303 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.51 172.66 6.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.429 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.0 127.99 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.319 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.3 t -49.37 -39.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.41 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.87 2.48 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.541 -0.299 . . . . 1.0 111.393 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.6 t-20 -114.43 1.51 14.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.722 -0.217 . . . . 1.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 5.8 pt -134.99 128.65 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.274 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.92 137.11 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.86 138.64 37.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.888 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.413 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.79 0.329 . . . . 1.0 111.055 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -90.74 34.28 0.91 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 81.55 25.32 54.23 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.278 -0.729 . . . . 1.0 111.278 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 81.9 m-85 -155.65 146.85 22.57 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.004 0.43 . . . . 1.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.66 131.32 22.6 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.374 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 13' ' ' ILE . 11.0 m-85 -98.03 137.04 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 1.6 p -142.48 128.04 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -113.42 151.62 31.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.271 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.58 166.51 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.222 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.116 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -129.86 -177.97 4.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.14 -48.94 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.667 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 ttt -54.65 -39.38 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.48 -29.97 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.576 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 -52.8 16.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.539 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 p -61.7 -36.14 80.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -59.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -51.43 -29.83 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.351 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -36.97 61.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -82.68 -28.61 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 1.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.36 -37.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.736 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.06 -31.76 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.752 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.14 -12.3 57.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.486 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -69.92 -27.05 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 1.0 110.275 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.5 mt -73.25 137.09 44.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.067 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -56.12 31.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.257 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.8 114.11 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.176 1.917 . . . . 1.0 112.059 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.1 Cg_exo -48.75 -176.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.777 1.651 . . . . 1.0 111.892 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 87' ' ' ILE . 55.6 tp -76.14 122.46 24.34 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -119.38 122.14 41.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.866 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -125.59 131.55 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.025 -0.731 . . . . 1.0 109.025 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 65.5 m-20 -33.66 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.341 0.401 . . . . 1.0 110.858 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -45.18 0.86 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.943 -0.646 . . . . 1.0 111.626 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 pttt 175.34 -175.9 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.796 0.298 . . . . 1.0 110.876 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.37 141.43 43.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 80' ' ' LEU . 3.4 mm -120.75 137.39 54.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.7 172.41 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 73' ' ' LEU . 4.3 t -127.7 141.35 46.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 1.0 110.362 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.75 157.11 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.64 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.3 m-85 -76.92 173.08 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.387 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.555 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 1.0 110.496 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.28 23.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.95 133.86 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 pt -106.75 143.4 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.409 ' C ' HD23 ' A' ' 14' ' ' LEU . 4.5 tt -116.68 143.96 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.558 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -100.98 151.74 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.424 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -133.83 149.42 51.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.406 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.2 t30 66.01 59.91 0.68 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -102.49 120.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -62.73 160.22 37.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.352 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.8 Cg_endo -73.35 2.92 5.15 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.555 2.17 . . . . 1.0 112.257 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.513 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 1.7 t60 -107.51 14.26 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.005 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -87.33 139.16 30.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 151.54 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.449 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.76 -24.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -45.35 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -71.87 -42.31 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.549 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.4 -24.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.435 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.8 mmt -74.57 -57.85 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.662 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -69.19 -24.27 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.54 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.17 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.7 mt -101.3 7.48 42.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.041 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.92 58.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.635 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.74 -4.63 15.18 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.002 1.801 . . . . 1.0 112.215 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.9 m-85 -99.84 -26.81 13.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.94 -179.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.47 ' C ' HD23 ' A' ' 36' ' ' LEU . 1.4 t -113.08 128.58 56.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.468 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.33 -176.16 2.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.347 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.86 129.63 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -48.39 -39.79 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.507 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -82.13 1.98 33.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.652 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -115.56 1.09 13.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.647 -0.251 . . . . 1.0 110.998 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.429 HG22 HG12 ' A' ' 58' ' ' VAL . 10.0 pt -127.52 135.0 64.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.89 0.376 . . . . 1.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 110.92 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.8 tt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.686 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 1.0 111.338 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -98.31 45.8 1.01 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.975 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.7 13.42 82.43 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.03 157.27 40.26 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.989 0.423 . . . . 1.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.16 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 2.2 m-85 -125.78 129.73 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.72 128.74 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.555 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -116.85 152.58 34.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.71 165.91 11.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.049 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.0 p -66.77 -35.3 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.289 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -114.66 173.86 6.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.646 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.99 21.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.671 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -23.09 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.662 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.91 -14.44 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.85 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 p -58.88 -36.34 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.382 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -56.42 22.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.09 -25.75 67.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.291 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -39.06 31.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.57 -26.82 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 1.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.2 -41.35 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 89' ' ' VAL . 5.2 tp -77.69 -33.0 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.733 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.19 -10.82 57.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -69.81 -29.13 66.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 1.0 109.965 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.36 140.11 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.005 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -57.3 25.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.106 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.8 Cg_endo -75.96 114.36 3.91 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.156 1.904 . . . . 1.0 111.975 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.8 Cg_exo -48.11 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.811 1.674 . . . . 1.0 112.029 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.16 124.93 29.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.35 120.85 33.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.748 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -120.91 133.69 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.334 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' ILE . 28.0 m-20 -31.39 104.03 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.443 0.465 . . . . 1.0 111.135 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -57.61 0.53 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.86 179.46 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.724 0.297 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 140.95 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -117.47 137.69 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.624 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.02 171.02 14.05 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.265 -0.734 . . . . 1.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 73' ' ' LEU . 4.0 t -130.27 140.15 49.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 1.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.43 158.73 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.1 163.2 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.448 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.576 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.514 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.956 0.408 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.09 26.82 0.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.391 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -152.66 145.48 24.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.157 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.88 168.16 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.545 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.26 136.89 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.362 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.21 146.89 24.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -127.81 147.96 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.164 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 73.09 54.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.183 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.424 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 35.9 mm -95.47 140.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.286 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -76.68 162.94 68.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.829 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.43 1.38 6.86 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.812 2.342 . . . . 1.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.8 t-80 -116.0 29.76 7.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.913 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 1.8 m -87.39 139.2 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.18 158.71 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.44 -22.37 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -68.71 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.706 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 m -65.86 -52.44 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.68 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.6 -24.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.428 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.9 mmt -77.45 -57.99 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.5 m -67.06 -24.17 65.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.955 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.1 -34.78 64.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.248 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -102.08 7.49 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.97 57.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.501 -0.318 . . . . 1.0 111.576 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.98 -5.13 15.63 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.131 1.887 . . . . 1.0 112.225 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.25 -27.22 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.68 -179.25 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.536 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -115.85 129.74 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.379 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.742 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.75 -175.59 2.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.484 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.84 128.82 17.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.23 -39.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.392 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.48 4.37 21.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.464 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.2 t-20 -117.65 1.4 12.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.21 129.69 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -132.71 129.65 39.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.4 137.22 32.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 44' ' ' ILE . 7.4 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.2 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.707 0.289 . . . . 1.0 110.874 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -84.05 27.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.901 0.382 . . . . 1.0 110.593 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 87.52 31.68 15.46 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 73.7 m-85 -158.74 147.63 18.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 1.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.14 146.77 28.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.468 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.52 139.08 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 58' ' ' VAL . 3.8 p -142.54 129.05 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -117.75 151.98 36.2 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.069 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.83 165.36 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.075 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -64.34 -36.18 83.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -117.32 172.76 7.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.674 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.33 -31.1 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -22.73 48.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -27.95 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.34 -58.93 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -58.52 -37.85 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -57.76 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.61 -28.41 63.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -35.4 55.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.75 -28.74 30.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.8 mt -74.81 -38.31 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.808 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -80.4 -31.46 37.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.789 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -83.58 -12.9 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.508 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -26.12 64.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.854 0.359 . . . . 1.0 110.295 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.35 139.87 46.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.592 . . . . 1.0 109.843 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.711 ' CD2' ' H ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -60.86 -53.04 67.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 120.891 -0.323 . . . . 1.0 111.274 -179.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 73.0 Cg_endo -77.54 113.67 3.56 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.958 1.772 . . . . 1.0 111.658 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.9 Cg_exo -49.07 -176.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.743 1.629 . . . . 1.0 111.951 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.49 120.95 25.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.911 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -121.28 116.59 25.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.83 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -116.61 135.81 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.489 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 5.7 m-20 -33.14 104.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.425 0.453 . . . . 1.0 111.002 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.64 -56.74 0.54 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -173.91 -178.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.811 0.339 . . . . 1.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.25 141.02 50.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.6 mm -119.06 135.2 60.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.75 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.25 172.66 14.43 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 73' ' ' LEU . 3.4 t -128.51 140.47 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.63 151.31 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.505 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 9.0 m-85 -71.37 172.83 8.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.94 0.4 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -164.3 26.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.602 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -152.74 137.82 17.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.22 159.75 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.27 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.521 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.8 tt -137.65 141.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.087 0.47 . . . . 1.0 110.627 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -96.75 153.55 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.189 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.22 146.64 50.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.455 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.3 t30 60.84 68.9 0.71 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.819 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 3.6 mm -98.2 146.54 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.255 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -68.37 160.9 73.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.843 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 60.8 Cg_endo -74.51 -10.15 21.89 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.733 2.289 . . . . 1.0 112.461 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 20' ' ' HIS . 2.3 t-80 -104.54 23.52 13.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.83 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 91.1 m -87.25 131.4 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.13 -177.42 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.337 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.33 -25.21 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.63 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.45 -56.46 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -48.24 80.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.715 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -50.4 -38.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.4 mmt -69.67 -57.88 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.423 . . . . 1.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.318 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.38 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.732 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.6 mt -103.41 8.07 38.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 1.0 111.357 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.7 61.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.45 -3.83 13.68 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.2 1.933 . . . . 1.0 112.371 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 91.9 m-85 -99.8 -27.63 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.068 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.19 -179.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 1.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.509 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -112.81 130.91 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.432 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -113.18 -175.18 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.467 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -143.62 128.66 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.203 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -48.82 -39.07 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -82.12 4.15 24.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.58 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -118.72 1.89 11.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.571 -0.286 . . . . 1.0 110.958 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 130.84 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.838 0.351 . . . . 1.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.6 115.15 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -91.2 111.25 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.783 0.325 . . . . 1.0 111.388 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -94.49 33.8 1.38 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.17 44.82 9.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 82.9 m-85 -162.05 146.72 12.66 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.676 0.274 . . . . 1.0 110.767 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.9 138.06 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.649 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.2 m-85 -107.37 133.07 52.44 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.69 124.12 19.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.551 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 60' ' ' LEU . 58.3 tt0 -110.2 152.6 25.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.123 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.6 mm? -110.59 165.24 11.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.959 -0.386 . . . . 1.0 109.959 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -65.05 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.314 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 165.88 11.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.27 -22.15 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -93.47 -1.48 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -7.64 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 1.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.41 -55.98 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.1 p -61.64 -33.93 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.475 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -57.36 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.673 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.3 -26.53 65.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 89' ' ' VAL . 0.8 OUTLIER -76.65 -36.91 57.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.42 -33.56 28.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.42 -40.76 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.576 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.83 -34.8 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.472 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.458 HE22 HD21 ' A' ' 70' ' ' LEU . 78.7 mt-30 -77.84 -9.74 59.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.57 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.47 -30.05 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 1.0 110.034 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.94 135.55 53.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.601 . . . . 1.0 109.637 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.58 -51.63 65.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.763 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' PRO . 87.2 Cg_endo -84.56 113.1 1.64 Allowed 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.32 2.013 . . . . 1.0 111.515 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.8 Cg_exo -47.83 -178.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.846 1.697 . . . . 1.0 111.757 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.63 116.98 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.102 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 2.0 tmtt? -108.69 104.89 14.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.832 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 83' ' ' ASP . 96.4 mt -104.22 136.96 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.539 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 82' ' ' ILE . 2.0 m-20 -30.31 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.524 0.515 . . . . 1.0 111.228 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.59 -61.38 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.78 178.45 4.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.868 0.366 . . . . 1.0 110.883 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t -72.84 142.86 47.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -110.42 133.9 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.375 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.42 164.12 12.35 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.397 -0.681 . . . . 1.0 111.397 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -117.29 138.1 49.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.741 0.305 . . . . 1.0 110.458 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.63 159.97 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.68 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.29 173.0 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.752 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 1.0 110.617 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.4 t0 -172.68 32.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 m -152.8 127.85 9.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.71 134.46 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.418 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' CE2' ' A' ' 57' ' ' PHE . 79.8 mt -111.21 132.26 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.431 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.25 143.28 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.6 ttm180 -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' O ' HD13 ' A' ' 87' ' ' ILE . 34.5 t30 79.18 53.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.906 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.8 130.36 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.789 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -70.87 159.42 85.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.133 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.8 Cg_endo -72.06 1.6 5.77 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.54 2.16 . . . . 1.0 112.196 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -110.54 23.17 14.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -87.51 141.38 28.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.3 40.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.348 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HD23 ' A' ' 43' ' ' LEU . 15.4 t -53.79 -22.33 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.62 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.47 -52.39 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.759 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -68.71 -58.4 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.86 -27.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.639 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.847 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.2 mmm -77.0 -58.25 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -62.51 -24.36 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.41 -32.18 66.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.949 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.57 7.47 42.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.108 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -53.27 57.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.647 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.55 -3.44 13.62 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.177 1.918 . . . . 1.0 112.338 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.8 m-85 -96.69 -26.98 14.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.22 -170.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -108.03 123.88 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.304 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.06 171.4 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.661 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.79 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.44 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.09 -38.99 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.421 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.16 4.69 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.476 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.659 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.2 t-20 -118.55 1.95 11.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.6 pt -134.2 130.62 54.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.916 0.388 . . . . 1.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.56 133.35 43.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.693 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.509 HD23 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -101.3 102.08 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.991 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.5 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.199 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.821 0.343 . . . . 1.0 111.311 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.78 28.37 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.437 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 84.67 24.12 47.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CG ' ' C ' ' A' ' 54' ' ' GLY . 43.8 m-85 -155.18 146.82 23.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.415 . . . . 1.0 110.773 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.64 131.51 37.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.237 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 13' ' ' ILE . 8.6 m-85 -99.48 127.23 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.407 HG12 HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -135.79 137.78 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.335 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -119.74 152.48 37.13 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.22 166.11 10.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.111 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -60.62 -37.4 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.131 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 5.6 m -139.36 176.82 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.737 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.01 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.711 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -40.51 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.684 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.96 -45.23 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.719 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.73 -53.19 59.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.2 p -59.8 -39.49 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -60.02 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -49.94 -29.84 9.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.414 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -75.79 -36.69 59.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.258 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -82.85 -25.5 32.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.3 mt -77.21 -39.66 28.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.15 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.12 -30.83 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.41 -13.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -70.17 -26.15 63.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.996 0.427 . . . . 1.0 110.059 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.88 138.4 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.98 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -56.7 26.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.059 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.58 114.18 3.91 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.078 1.852 . . . . 1.0 111.971 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.8 Cg_exo -48.26 -177.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.854 1.703 . . . . 1.0 111.922 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.1 tp -77.97 122.24 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -117.03 131.94 56.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.179 0.514 . . . . 1.0 110.906 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -135.55 134.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.439 -0.8 . . . . 1.0 108.991 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -33.86 104.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.448 0.467 . . . . 1.0 110.866 -179.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.9 -48.64 0.78 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.83 -0.7 . . . . 1.0 111.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 178.93 -176.31 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.458 . . . . 1.0 111.122 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t -74.73 142.99 44.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.501 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.441 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.37 136.59 56.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.888 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.4 173.82 15.69 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.392 -0.683 . . . . 1.0 111.392 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 73' ' ' LEU . 10.2 t -130.28 141.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.736 0.303 . . . . 1.0 110.59 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.0 163.87 32.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.681 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.414 ' CE2' HD13 ' A' ' 70' ' ' LEU . 11.7 m-85 -83.39 173.12 11.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.52 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.531 179.799 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 9' ' ' MET . 7.0 tmm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.072 0.463 . . . . 1.0 110.716 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -174.6 30.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.523 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.2 m -152.91 132.29 12.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.395 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.85 127.42 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.82 144.46 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.673 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.31 148.83 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -129.68 150.93 50.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.424 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 87' ' ' ILE . 63.0 t30 68.81 55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 1.0 111.129 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.9 mm -95.74 134.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -73.0 162.46 74.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.78 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 Cg_endo -72.13 -3.97 14.3 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.768 2.312 . . . . 1.0 112.252 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.16 22.87 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.824 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -87.35 129.94 34.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.667 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.17 142.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.2 t -45.31 -24.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.573 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -67.68 -44.88 76.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.715 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 m -71.15 -50.33 34.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.701 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.22 -24.58 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.8 mmt -74.6 -57.67 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.9 m -66.92 -24.27 66.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.024 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.435 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.85 7.79 41.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.678 0.275 . . . . 1.0 111.092 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.24 62.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.721 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.42 -4.01 14.25 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.157 1.905 . . . . 1.0 112.231 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.0 m-85 -102.06 -27.68 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.05 -177.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.727 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.5 t -116.11 131.4 56.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.329 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.75 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.79 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.456 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.08 129.87 18.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.468 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.05 -39.83 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.347 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.07 2.73 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.481 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.0 t-20 -116.65 1.75 12.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.839 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.91 129.16 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.877 0.37 . . . . 1.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -132.5 120.46 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.03 139.23 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.009 0.433 . . . . 1.0 110.614 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.775 0.322 . . . . 1.0 111.059 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 24.3 mtt180 -91.43 33.3 1.0 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.087 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 81.48 25.27 54.64 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 32.3 m-85 -147.95 147.89 30.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 1.0 110.74 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.98 136.64 17.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.385 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.84 130.84 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.78 123.84 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -111.59 152.77 27.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.278 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.27 166.52 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.202 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -58.58 -37.2 75.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.26 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -127.94 -178.87 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.712 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.91 -33.53 21.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -25.19 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.55 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.64 -13.76 61.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.646 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.99 -58.98 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -36.76 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.354 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.93 -25.48 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -79.74 -38.47 33.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.281 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.84 -26.29 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.72 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.62 -40.53 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.054 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -78.75 -31.62 46.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.6 mt-30 -85.9 -12.17 51.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.749 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.18 -26.45 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.017 0.437 . . . . 1.0 110.041 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.54 138.29 50.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.009 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -56.49 28.38 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.7 Cg_endo -76.35 114.27 3.85 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.147 1.898 . . . . 1.0 111.944 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.91 -177.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.848 1.699 . . . . 1.0 112.025 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.1 tp -79.0 120.4 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -121.81 116.8 25.11 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.824 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -116.43 133.71 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.34 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.3 m-20 -32.67 104.04 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.425 0.453 . . . . 1.0 110.974 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.38 -54.23 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -179.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 1.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 t -71.86 142.57 49.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.716 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -121.03 135.98 59.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.23 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.303 -0.719 . . . . 1.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 73' ' ' LEU . 7.9 t -131.88 141.28 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.66 0.267 . . . . 1.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -143.06 151.64 41.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.664 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 70' ' ' LEU . 8.4 m-85 -71.06 173.02 8.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.476 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.545 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.434 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 4.7 mtt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.866 0.365 . . . . 1.0 110.558 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.5 t0 -172.12 24.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 123.13 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.61 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.31 136.36 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.167 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.84 120.01 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.529 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.27 133.45 37.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.5 ttm180 -117.27 146.85 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.423 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.737 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 40.9 t30 80.19 53.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.8 mm -96.6 124.82 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.317 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.26 161.29 79.16 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.416 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 41.6 Cg_endo -70.34 4.05 2.67 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.593 2.195 . . . . 1.0 112.227 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 33.8 t60 -116.19 27.43 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.805 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.29 137.91 31.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 1.0 110.988 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.14 142.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.479 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.5 t -54.86 -21.64 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.586 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -40.13 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.64 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.0 m -66.67 -56.3 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -50.93 -46.21 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.647 ' HA ' HD21 ' A' ' 36' ' ' LEU . 5.4 mtt -49.84 -59.15 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.9 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -34.85 69.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 34' ' ' ALA . 49.0 mt -101.08 7.34 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.013 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.93 59.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.645 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.06 -4.74 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.117 1.878 . . . . 1.0 112.211 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.9 m-85 -103.21 -26.5 12.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 176.06 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.44 83.16 7.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.616 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -63.15 -174.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.508 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -141.15 127.7 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.54 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' CE ' ' A' ' 27' ' ' MET . 2.2 t -49.44 -39.32 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.35 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -80.29 2.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.542 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 1.88 13.49 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.665 0.269 . . . . 1.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -138.44 126.37 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -132.87 119.63 20.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.791 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.87 108.01 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.4 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.227 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 18' ' ' ALA . 2.5 p30 . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 120.74 0.305 . . . . 1.0 111.784 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 4.6 ttp180 -78.76 24.18 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.326 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 93.89 3.21 64.18 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.139 -0.553 . . . . 1.0 111.88 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -153.04 166.7 31.62 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 122.494 -0.415 . . . . 1.0 110.74 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.18 142.16 16.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.111 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.75 140.7 29.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.888 0.375 . . . . 1.0 110.677 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.43 128.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.345 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.411 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 11.4 tt0 -115.17 149.59 37.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.395 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -107.15 166.69 10.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.166 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -58.64 -37.42 75.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.269 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 49.3 m -136.73 172.86 12.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' MET . . . -75.69 -28.93 58.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.648 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -77.15 -21.63 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.618 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.02 -19.03 59.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.15 -54.75 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -36.77 83.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -54.68 43.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.615 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.17 -23.1 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.75 -38.19 26.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.321 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -82.55 -28.98 30.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 1.0 110.16 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mt -74.8 -36.1 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.405 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.2 tp -82.81 -34.31 26.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.645 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -80.62 -12.34 59.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.378 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -28.43 66.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 1.0 110.072 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.98 137.84 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.159 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -56.13 34.87 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.172 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 59.6 Cg_endo -75.84 113.8 3.8 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.133 1.889 . . . . 1.0 112.021 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.55 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.877 1.718 . . . . 1.0 112.022 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 73' ' ' LEU . 38.8 tp -74.53 130.2 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.854 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -127.84 113.84 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 1.0 110.91 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' ASP . 69.4 mt -114.84 135.9 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 62.9 m-20 -32.09 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.4 0.437 . . . . 1.0 111.09 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.91 -56.7 0.55 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.737 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 2.0 pttt -175.43 -179.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 1.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 6.7 t -68.19 142.67 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.3 mm -123.14 140.11 47.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 171.55 13.81 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.22 140.32 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.78 0.324 . . . . 1.0 110.415 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -140.88 163.24 33.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.746 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 8.1 m-85 -82.09 172.95 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.552 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -172.59 27.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.525 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.732 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.3 m -152.67 134.31 14.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.328 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -106.96 159.32 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' A' ' 90' ' ' ASP . 1.9 tt -131.82 144.66 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.49 146.13 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.393 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -128.37 147.61 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.7 t30 67.71 54.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -89.71 132.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.446 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -64.51 158.91 64.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.423 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.0 Cg_endo -72.83 -7.31 20.54 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.485 2.124 . . . . 1.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 46.3 t60 -106.61 22.74 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.874 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -87.51 140.12 29.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.29 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.402 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -23.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.64 -44.46 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.679 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.5 m -69.47 -41.46 76.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.02 -28.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.7 mmt -70.74 -60.28 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -66.77 -24.38 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.004 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -33.75 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.064 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.7 mt -101.74 7.5 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.963 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -53.82 60.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.631 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.65 -5.8 16.36 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.069 1.846 . . . . 1.0 112.193 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 93.1 m-85 -98.15 -27.9 13.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.741 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.12 -177.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.495 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.522 ' C ' HD23 ' A' ' 36' ' ' LEU . 5.8 t -114.14 130.85 56.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.55 -175.11 2.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.57 129.23 18.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -48.85 -39.36 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.459 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.487 HD22 ' C ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -81.88 3.92 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.586 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.75 1.13 12.14 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.608 -0.269 . . . . 1.0 110.809 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -134.47 129.63 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -132.46 105.61 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -89.16 105.56 17.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.142 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.568 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.823 0.344 . . . . 1.0 111.378 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -89.01 36.77 0.82 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.56 30.86 42.97 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.567 -0.613 . . . . 1.0 111.567 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 70.0 m-85 -156.14 147.4 22.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.771 0.32 . . . . 1.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.73 143.6 22.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.24 136.42 45.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.736 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.48 123.0 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -114.99 152.77 31.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 1.0 109.94 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.38 165.95 11.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 p -63.24 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.302 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -122.63 -177.87 3.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.726 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.86 -47.86 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.98 -39.41 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.657 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.53 -29.34 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.3 -56.49 10.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -61.74 -35.97 79.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -55.86 29.23 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.773 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.71 -25.58 67.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.294 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -80.38 -39.31 28.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.358 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.76 -25.2 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.1 mt -77.61 -38.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.0 tp -80.59 -33.33 36.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 93.2 mt-30 -84.3 -12.19 55.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.596 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -27.84 65.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 1.0 109.944 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.18 138.46 47.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.097 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -57.12 19.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.294 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' PRO . 58.1 Cg_endo -74.34 114.52 4.05 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.053 1.835 . . . . 1.0 111.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.28 -175.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.957 1.771 . . . . 1.0 112.0 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.7 tp -79.15 118.09 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.124 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -119.73 115.94 24.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.671 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' ASP . 78.1 mt -117.55 136.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.729 -0.668 . . . . 1.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' ILE . 16.3 m-20 -31.35 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.533 0.52 . . . . 1.0 110.942 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.11 -56.22 0.55 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -177.85 -177.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 1.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -68.64 142.51 55.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.909 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.2 138.66 51.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.57 169.61 13.0 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.251 -0.74 . . . . 1.0 111.251 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.427 HG21 HD23 ' A' ' 73' ' ' LEU . 12.5 t -130.9 140.21 49.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 1.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -135.63 166.96 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.476 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.64 172.77 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.513 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.71 0.29 . . . . 1.0 110.611 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.04 29.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.59 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -152.59 161.84 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.497 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -122.09 169.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.458 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' OD2' ' A' ' 90' ' ' ASP . 1.5 tt -147.44 138.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.603 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -92.44 142.57 27.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.271 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -128.26 149.53 50.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.684 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.61 56.4 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.797 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.45 147.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.482 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -86.86 160.67 49.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.702 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 61.0 Cg_endo -74.29 -0.29 9.45 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.776 2.317 . . . . 1.0 112.324 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 56.5 t-80 -99.82 15.82 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.218 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.4 m -87.71 129.41 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -129.01 142.35 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.502 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.1 t -41.84 -34.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -37.14 86.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.703 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' VAL . 22.4 m -73.8 -40.2 63.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.746 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.23 -51.27 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.71 -58.91 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -63.67 -33.87 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.289 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.63 70.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.139 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' ALA . 55.2 mt -102.88 7.31 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 1.0 110.974 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -54.21 55.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 111.681 0.252 . . . . 1.0 111.681 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -77.12 -6.17 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.14 1.894 . . . . 1.0 112.427 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.6 m-85 -100.54 -26.3 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 171.36 138.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.487 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -85.88 74.61 10.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -52.12 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.615 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -137.09 129.51 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.503 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.8 t -51.26 -39.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -80.95 1.87 29.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.433 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.8 t-20 -114.83 1.64 14.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.699 -0.228 . . . . 1.0 111.024 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -135.27 134.73 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.757 0.313 . . . . 1.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -124.85 113.88 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.89 101.03 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.07 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.012 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.362 . . . . 1.0 111.901 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -83.13 29.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 89.88 24.59 29.58 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 92.1 m-85 -158.15 145.56 18.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 1.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.68 144.45 23.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.629 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -106.93 142.24 36.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 p -142.47 138.7 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.761 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -128.65 152.33 48.5 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.302 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.82 167.53 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.068 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.4 p -58.46 -37.58 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -125.78 -178.02 4.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.647 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.17 -42.31 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.704 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -34.0 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.584 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.24 -35.9 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.55 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.533 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -65.35 -31.49 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -58.79 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -48.57 -27.3 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.42 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -35.23 45.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.144 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -82.65 -28.68 30.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.887 0.375 . . . . 1.0 110.322 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.57 -40.4 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.608 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.96 -32.65 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.21 -11.61 57.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.441 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -28.09 66.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 1.0 110.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -72.04 138.55 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.055 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -55.89 39.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.215 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.1 Cg_endo -77.48 114.3 3.69 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.192 1.928 . . . . 1.0 111.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.77 -175.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.916 1.744 . . . . 1.0 111.779 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.37 118.68 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.64 116.33 25.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.739 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.5 mt -115.86 136.17 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.475 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 82' ' ' ILE . 57.1 m-20 -33.49 104.06 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.383 0.427 . . . . 1.0 110.958 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.34 -56.49 0.54 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -174.06 -179.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.741 0.305 . . . . 1.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 t -70.64 142.57 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.636 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.47 134.2 64.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.675 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.79 173.21 14.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.42 -0.672 . . . . 1.0 111.42 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.38 139.54 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 1.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -144.13 158.08 43.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.498 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -74.33 173.06 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.522 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.687 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.23 -145.61 12.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 151.7 21.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 1.0 110.468 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.74 134.55 34.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -83.67 0.91 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.475 ' CG ' ' N ' ' A' ' 7' ' ' HIS . 5.3 p-80 -155.39 -160.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 6' ' ' HIS . 3.1 m-70 -137.34 145.31 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.512 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -156.69 21.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.662 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 8' ' ' HIS . 3.5 mtm 58.69 147.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.62 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 19.9 p-10 -174.01 33.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.689 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.68 143.35 22.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.154 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.3 164.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.464 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.515 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -144.73 138.15 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.646 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -95.14 140.85 29.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.102 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -125.49 149.34 48.35 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.754 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.9 t30 62.23 59.17 1.65 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.01 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.69 146.84 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 157.41 80.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.665 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 74.4 Cg_endo -75.39 3.38 5.86 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.627 2.218 . . . . 1.0 112.333 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 58.8 t-80 -104.23 12.31 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.999 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -87.56 145.61 26.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.12 176.28 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.436 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.62 -28.0 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.623 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -41.15 70.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.773 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -63.13 -57.31 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.75 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -51.89 -35.15 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.788 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.431 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mmt -64.32 -58.88 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 m -68.61 -24.29 64.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.02 -34.39 66.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.314 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.0 mt -102.45 7.78 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.071 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.42 62.96 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.749 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.21 -4.79 14.61 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.127 1.884 . . . . 1.0 112.388 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.7 m-85 -99.41 -27.02 13.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.975 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 175.75 -179.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.619 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.476 ' C ' HD23 ' A' ' 36' ' ' LEU . 29.2 t -111.86 130.38 55.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.476 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.717 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.97 -179.19 3.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.412 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.94 17.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.9 t -48.62 -38.91 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.55 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.46 5.03 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.687 -0.233 . . . . 1.0 111.605 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.8 t-20 -118.3 0.92 11.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.555 -0.293 . . . . 1.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 pt -132.33 133.1 60.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 1.0 110.732 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -122.15 96.92 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.181 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.79 100.74 13.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.234 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.02 144.85 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.39 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -120.64 149.09 43.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.482 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -108.9 152.49 24.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.719 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.37 -10.62 43.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.743 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -80.77 -57.75 3.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.687 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.49 17.74 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.529 HE21 ' CA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 45.93 28.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.377 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 46.2 mt-30 -156.35 164.63 38.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -34.88 143.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.279 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttp85 -87.18 28.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.612 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 91.0 29.78 12.23 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.489 -0.645 . . . . 1.0 111.489 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 94.3 m-85 -157.7 146.72 19.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.784 0.326 . . . . 1.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.99 139.83 18.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.471 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 2.2 m-85 -107.97 140.93 40.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.623 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 58' ' ' VAL . 4.3 p -142.94 128.67 16.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.79 152.21 29.43 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.107 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.46 165.97 11.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.182 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.188 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -127.98 -177.97 4.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.699 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.59 -48.87 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.65 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.1 mtt -57.21 -38.94 74.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.36 59.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.718 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.97 19.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.0 p -60.84 -37.93 83.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -55.36 35.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.756 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.93 -26.56 67.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.416 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -80.5 -36.94 32.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.31 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -82.68 -26.61 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.467 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.5 mt -76.9 -40.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.741 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 89' ' ' VAL . 5.1 tp -77.99 -33.04 51.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.956 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -84.36 -13.4 52.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -70.86 -26.04 63.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 1.0 110.115 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.6 137.57 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.0 109.802 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -55.93 36.14 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.254 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.8 Cg_endo -78.43 114.09 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.165 1.91 . . . . 1.0 112.052 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.38 -176.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 121.94 1.76 . . . . 1.0 111.725 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -84.48 120.28 26.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.751 -0.463 . . . . 1.0 109.751 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 123.07 18.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.959 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER -126.54 153.28 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.759 -0.655 . . . . 1.0 109.51 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -34.51 103.88 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.928 0.394 . . . . 1.0 110.825 -179.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.49 -62.7 0.44 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -177.56 -178.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.887 0.375 . . . . 1.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -71.11 143.23 50.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.677 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.73 133.8 67.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.694 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.49 174.01 15.44 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.293 -0.723 . . . . 1.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.507 HG21 HD23 ' A' ' 73' ' ' LEU . 12.7 t -133.17 140.26 47.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.723 0.297 . . . . 1.0 110.417 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.54 161.56 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.616 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 25.8 m-85 -78.87 172.53 13.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.456 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.75 114.82 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.486 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -100.45 160.0 14.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.538 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -75.89 120.64 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.573 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.955 -1.021 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.01 -104.07 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 144.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 1.0 110.549 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -163.45 71.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -145.57 96.71 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' HIS . 2.3 p80 -142.28 26.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.673 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -81.71 131.89 35.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.6 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -96.22 -3.77 43.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.539 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.84 143.0 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -174.8 31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.648 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 m -152.81 139.07 18.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.55 163.63 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.358 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.541 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 2.9 tt -147.31 126.79 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 1.0 110.714 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.5 mt -83.45 144.74 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -126.29 149.35 49.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.485 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.1 t30 62.15 60.53 1.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -102.38 156.94 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.15 159.9 50.05 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 72.7 Cg_endo -75.55 2.73 6.58 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.596 2.198 . . . . 1.0 112.563 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 20.8 t-80 -106.97 21.13 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.086 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -87.79 139.07 30.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.817 0.341 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.15 142.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.361 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.66 -23.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 1.0 110.707 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -50.99 63.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.772 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -68.44 -40.87 80.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.811 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -57.65 -27.31 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.685 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.413 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.5 mmt -74.77 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.736 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -64.51 -24.06 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.077 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 -33.82 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.43 -0.35 . . . . 1.0 111.143 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -102.24 7.84 40.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -53.54 63.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.728 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -78.06 -4.47 14.4 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.124 1.883 . . . . 1.0 112.16 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.5 -28.47 12.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.965 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.84 -176.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.513 -0.312 . . . . 1.0 110.706 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -118.21 129.86 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.317 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.38 -177.35 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.514 -179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.19 129.98 18.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.402 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.87 -39.83 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 1.0 111.658 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -83.46 4.87 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.9 t-20 -118.33 0.05 11.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.623 -0.262 . . . . 1.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 9.6 pt -126.44 141.62 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.734 0.302 . . . . 1.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -132.09 105.04 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.99 114.94 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.82 145.76 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.942 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.1 125.52 23.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 1.0 110.394 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -102.69 160.54 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.518 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -90.5 -1.41 57.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.647 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -86.02 -57.72 2.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.71 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.82 19.92 19.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.991 0.424 . . . . 1.0 110.413 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 8.7 mp0 42.05 29.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -157.72 165.36 35.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.515 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -37.24 142.02 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 1.0 111.462 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -89.41 32.88 0.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.132 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 90.86 31.56 9.9 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.166 -0.774 . . . . 1.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 74.8 m-85 -155.89 147.03 22.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.915 0.388 . . . . 1.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.23 130.05 17.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.476 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 3.4 m-85 -101.73 135.24 43.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 4.3 p -142.67 138.95 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.955 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.513 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 15.5 tt0 -121.4 152.48 38.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.035 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.6 mm? -108.8 165.25 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.118 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 p -59.85 -37.72 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.046 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 m -124.79 -177.94 4.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.519 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.96 -48.82 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.78 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ttt -58.58 -42.06 87.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -49.54 -35.19 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.24 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -65.32 -37.95 88.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.352 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -53.97 51.13 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.786 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -58.99 -23.33 61.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.327 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.48 -37.28 28.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.76 -28.38 30.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 1.0 110.385 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -72.29 -42.04 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 89' ' ' VAL . 4.9 tp -76.97 -32.54 57.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.97 -10.32 58.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 1.0 110.522 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -68.61 -29.89 68.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.03 0.443 . . . . 1.0 109.961 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.5 138.89 55.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.988 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -56.62 28.56 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.27 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 67.1 Cg_endo -76.65 114.25 3.81 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.083 1.856 . . . . 1.0 112.004 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.0 Cg_exo -48.37 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.75 1.633 . . . . 1.0 111.853 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.9 tp -79.3 122.13 25.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 1.0 109.951 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 121.04 34.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.588 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.0 mt -121.25 135.93 59.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.671 -0.695 . . . . 1.0 109.654 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.8 m-20 -33.01 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.417 0.448 . . . . 1.0 110.863 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.42 -58.13 0.53 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -172.19 -179.74 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.33 . . . . 1.0 110.678 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 140.9 51.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.48 132.19 69.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.684 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.92 173.4 15.55 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG21 HD23 ' A' ' 73' ' ' LEU . 4.8 t -131.41 140.04 49.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.804 0.335 . . . . 1.0 110.614 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.11 159.9 42.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.561 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.73 172.98 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.25 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -101.35 -165.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 p -89.29 78.62 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.974 -1.012 . . . . 1.0 110.591 180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.75 27.89 18.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -68.53 -79.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 1.0 110.542 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 6' ' ' HIS . 3.6 t60 45.86 90.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.448 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 2.0 m-70 -60.98 75.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.579 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' HIS . 2.1 m-70 -45.59 147.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.602 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.04 -7.51 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -68.76 158.04 35.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.66 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.596 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -64.15 145.99 55.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.458 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -175.42 37.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.876 0.369 . . . . 1.0 110.767 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 139.15 18.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.447 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 pt -106.91 158.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.216 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -138.32 144.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.944 0.402 . . . . 1.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.63 139.07 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.131 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.59 149.65 48.19 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.642 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.548 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 56.8 t30 63.65 57.3 1.44 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.976 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.15 156.57 3.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.311 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -91.74 159.86 37.48 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.735 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 67.0 Cg_endo -74.98 2.45 6.6 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.734 2.29 . . . . 1.0 112.164 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 78.6 t60 -103.46 20.12 18.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.064 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 m -87.41 137.36 32.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.609 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.39 142.74 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.1 t -48.66 -21.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.18 -54.22 15.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.663 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -64.31 -48.99 73.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.735 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -53.07 -31.53 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.82 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.3 mmt -73.15 -58.54 3.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -67.84 -24.24 65.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.086 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.87 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.322 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.52 7.86 42.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.072 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -53.21 63.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.812 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -78.16 -3.17 13.19 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.106 1.871 . . . . 1.0 112.172 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 89.4 m-85 -100.53 -26.87 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.818 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.07 -179.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.427 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.553 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.15 133.69 53.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.46 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -115.71 176.25 5.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.532 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.13 129.89 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.592 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.5 t -48.39 -39.61 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.554 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.54 4.38 24.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.623 -0.262 . . . . 1.0 111.554 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.32 0.67 12.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.658 -0.246 . . . . 1.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 pt -131.26 134.53 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-O 120.739 0.305 . . . . 1.0 110.61 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -123.44 101.5 7.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.01 101.34 13.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 1.0 109.708 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 44' ' ' ILE . 8.6 tt -59.9 107.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.576 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.67 137.45 34.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.6 163.68 13.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.75 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -90.38 1.35 56.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.548 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -77.01 -57.56 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.537 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.8 22.09 11.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.33 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 42.9 32.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.453 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -155.36 165.86 35.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.343 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.81 144.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.353 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -91.22 32.51 1.03 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.77 24.17 39.5 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.142 -0.783 . . . . 1.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 96.9 m-85 -158.8 145.58 17.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.74 0.305 . . . . 1.0 110.653 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.47 140.63 22.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -107.28 134.34 50.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.13 126.1 35.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.512 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -112.24 152.4 28.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.133 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -110.08 165.62 11.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.099 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -58.57 -37.84 76.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.15 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -128.37 -178.0 4.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.592 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 -43.15 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.629 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -34.94 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.53 -35.27 77.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -52.87 62.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.2 m -62.57 -39.51 93.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.298 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -54.96 39.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.4 -24.8 67.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -39.55 27.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.268 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -82.73 -27.1 31.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.885 0.374 . . . . 1.0 110.7 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -75.48 -38.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.571 HD21 HD22 ' A' ' 80' ' ' LEU . 6.1 tp -80.85 -34.53 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.753 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.83 -10.79 59.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 1.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -70.44 -24.57 62.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.41 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.01 134.96 50.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -57.06 11.08 Favored Pre-proline 0 C--N 1.328 -0.361 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.746 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -79.08 150.21 22.94 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.985 1.79 . . . . 1.0 111.455 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.96 166.75 29.19 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.065 1.843 . . . . 1.0 111.422 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD22 HD21 ' A' ' 73' ' ' LEU . 60.4 tp -61.0 122.54 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.527 -0.469 . . . . 1.0 109.878 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -116.31 131.09 57.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.225 0.536 . . . . 1.0 110.806 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASP . 83.2 mt -135.26 133.9 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.396 -0.82 . . . . 1.0 108.871 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' ILE . 43.3 m-20 -34.38 103.88 0.03 OUTLIER 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.322 0.389 . . . . 1.0 110.738 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.28 -48.94 0.71 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.027 -0.606 . . . . 1.0 111.793 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.548 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER 177.39 -175.82 0.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.887 -179.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.8 t -74.0 141.16 45.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.657 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.51 135.23 61.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.89 173.34 15.11 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.428 -0.669 . . . . 1.0 111.428 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD23 ' A' ' 73' ' ' LEU . 14.4 t -132.6 140.32 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 1.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.92 160.88 39.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.499 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.1 m-85 -78.38 173.0 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.335 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.13 118.61 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.575 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -150.86 122.98 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.73 104.9 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.528 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.46 77.72 0.05 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.42 153.36 18.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 1.0 110.551 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 2.9 p80 -144.19 -94.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.528 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 37.2 m80 -82.1 -170.6 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.607 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.14 -3.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' A' ' 7' ' ' HIS . 3.3 t60 -84.68 40.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -149.03 125.03 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.599 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 16.4 ttp -45.27 113.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.579 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -158.98 27.28 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.485 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.83 134.61 14.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.337 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 pt -106.84 158.93 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.43 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.56 140.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.21 143.9 26.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.419 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -122.41 147.4 46.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.615 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' O ' HD13 ' A' ' 87' ' ' ILE . 46.7 t30 75.84 55.93 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.04 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -100.3 133.72 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 1.0 110.845 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -72.27 161.11 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.131 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 56.9 Cg_endo -72.45 -5.13 16.56 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.559 2.173 . . . . 1.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 19.5 t-80 -104.4 21.99 15.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.934 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.84 143.26 27.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.935 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.19 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.17 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.615 HG22 HD23 ' A' ' 43' ' ' LEU . 9.1 t -48.36 -24.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.555 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -34.34 62.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 m -73.84 -32.31 63.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -84.9 -24.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.292 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.8 mmm -70.47 -57.16 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.695 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -64.94 -24.64 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.927 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.89 -32.37 65.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.962 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.2 mt -101.77 7.57 41.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -53.22 59.33 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.792 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -78.07 -5.56 15.24 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.186 1.924 . . . . 1.0 112.424 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -93.45 -26.98 16.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.69 -171.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.495 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.5 123.23 48.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.45 173.16 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.433 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.25 128.44 16.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.364 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -49.03 -38.75 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.493 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -82.37 4.98 21.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.583 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.9 0.83 12.0 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.619 -0.264 . . . . 1.0 110.878 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 6.1 pt -133.5 130.5 56.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.85 0.357 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -132.5 142.53 49.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.89 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD23 HG22 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -108.43 110.31 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.55 . . . . 1.0 109.75 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt -60.15 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.773 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.45 123.42 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.5 160.39 16.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.484 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -87.16 8.78 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.668 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.03 1.9 42.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 1.0 110.541 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.406 ' CA ' HE21 ' A' ' 50' ' ' GLN . 0.0 OUTLIER 60.0 19.76 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.139 179.373 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 2.9 pt20 -175.03 176.99 2.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.073 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -38.28 129.77 1.3 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 1.0 111.063 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -80.83 25.5 0.44 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.146 0.498 . . . . 1.0 110.48 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 92.11 26.33 19.21 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.297 -0.721 . . . . 1.0 111.297 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 54' ' ' GLY . 45.0 m-85 -153.4 146.26 24.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 1.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.93 136.68 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.96 132.02 46.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.765 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.69 152.66 28.77 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.152 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 69' ' ' LEU . 4.4 mm? -108.08 166.22 10.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.194 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -37.04 82.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.197 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -127.49 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.36 -35.44 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.46 -29.12 66.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.696 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -34.76 78.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.754 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.22 -53.33 59.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.573 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -38.77 92.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.486 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -56.04 20.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.768 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.12 -25.2 63.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.249 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -78.98 -38.01 37.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.47 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -82.58 -28.42 30.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.619 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -70.52 -42.79 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.7 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.432 HD21 HD22 ' A' ' 80' ' ' LEU . 3.6 tp -76.21 -35.55 59.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.64 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -82.87 -8.78 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.305 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -74.31 -26.4 60.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.244 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.24 138.59 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.849 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -56.74 23.42 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.066 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 74.3 Cg_endo -77.51 114.1 3.65 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.09 1.86 . . . . 1.0 111.785 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.95 -178.1 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.802 1.668 . . . . 1.0 111.814 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD22 HD21 ' A' ' 73' ' ' LEU . 51.4 tp -81.27 121.06 25.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.32 121.71 37.36 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.778 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -122.31 133.74 67.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.512 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 81.5 m-20 -31.15 104.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.536 0.522 . . . . 1.0 111.0 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.83 -59.23 0.53 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -172.87 173.64 3.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 1.0 110.632 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t -63.47 142.57 58.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.69 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.58 131.72 71.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.714 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.69 163.85 12.11 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.338 -0.705 . . . . 1.0 111.338 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.85 139.71 42.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 110.288 -0.264 . . . . 1.0 110.288 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.55 166.39 25.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 1.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 70' ' ' LEU . 11.8 m-85 -87.14 173.08 9.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 85.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.488 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.53 96.65 10.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.628 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.7 p -105.57 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.602 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.486 -0.561 . . . . 1.0 109.486 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.79 -103.93 1.53 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.581 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 2.0 p-80 -151.65 123.45 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 1.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 3' ' ' HIS . 16.4 m170 59.01 147.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.44 151.37 20.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.674 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.91 -171.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.581 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.12 -0.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.49 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -96.97 -124.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.498 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 ttt -65.61 112.01 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.404 . . . . 1.0 110.552 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 6.7 p30 -175.08 26.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 2.0 m -153.15 135.08 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.385 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.82 156.11 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 tt -134.13 144.56 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.387 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.88 140.87 35.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.0 ttm180 -121.44 146.67 46.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.457 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 34.1 t30 80.04 52.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.154 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.0 mm -98.02 127.14 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.553 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.84 91.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 57.5 Cg_endo -72.54 13.37 0.57 Allowed 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.419 2.08 . . . . 1.0 111.986 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -120.75 19.65 11.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.515 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.5 m -87.37 149.05 24.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.906 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 142.51 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.245 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.4 t -45.08 -28.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -54.47 14.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 1.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.9 m -50.82 -49.95 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.74 -44.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.701 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.443 ' HG2' HD12 ' A' ' 36' ' ' LEU . 32.9 mtp -58.79 -60.24 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.026 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -55.98 -25.63 44.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.154 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.4 59.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.03 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 mt -101.21 7.18 43.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -53.68 52.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.616 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -77.17 -5.38 15.72 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.185 1.923 . . . . 1.0 112.422 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HD12 ' A' ' 73' ' ' LEU . 73.0 m-85 -92.48 -29.97 15.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.47 -171.79 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 1.0 110.447 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p -106.74 119.32 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.369 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.693 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.54 172.12 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.49 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.11 128.44 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.47 -38.72 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.362 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.86 1.79 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.609 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.3 t-20 -114.19 0.91 14.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.682 -0.236 . . . . 1.0 110.996 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -130.63 136.1 59.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 1.0 110.542 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -132.07 123.77 27.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 102.67 14.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.02 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 44' ' ' ILE . 3.1 tt -60.13 96.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 1.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -82.77 145.09 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.853 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.31 158.72 18.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.837 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -90.96 -11.26 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.415 179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.18 -58.16 3.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 21.04 17.95 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.966 0.412 . . . . 1.0 110.208 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 26.6 mp0 42.63 31.67 0.31 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.6 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 5.0 mt-30 -157.54 172.4 18.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.485 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -38.17 143.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.468 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -86.5 29.29 0.78 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.466 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 86.23 20.93 53.9 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 31.3 m-85 -151.58 147.51 26.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 1.0 110.702 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.88 135.64 33.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -103.09 133.59 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 1.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.91 125.33 29.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 1.2 mp0 -110.49 152.21 26.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.158 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.98 166.15 11.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -61.54 -36.91 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.33 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.81 -178.74 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.34 -29.2 23.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.821 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptm -78.76 -20.13 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.69 -10.58 59.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.731 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.17 -55.38 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -38.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -59.21 5.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.78 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -51.7 -28.19 14.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.915 0.388 . . . . 1.0 110.379 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 89' ' ' VAL . 1.1 tp -71.44 -38.74 71.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.188 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -81.31 -47.49 13.25 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.635 179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.02 -39.84 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.505 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.442 HD12 ' CE2' ' A' ' 33' ' ' TYR . 4.4 tp -81.23 -42.65 20.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.53 -11.99 60.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.718 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' GLN . 4.6 t -71.1 -27.11 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.485 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.28 137.04 44.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.168 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -52.94 -60.25 7.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' PRO . 48.1 Cg_endo -70.24 114.14 3.68 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.047 1.831 . . . . 1.0 111.879 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.444 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.7 Cg_exo -47.88 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.789 1.659 . . . . 1.0 111.949 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' HB2' HD21 ' A' ' 73' ' ' LEU . 57.3 tp -79.34 122.29 26.18 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.063 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -116.89 131.86 56.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.762 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' ASP . 85.4 mt -135.57 134.51 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.901 -0.777 . . . . 1.0 108.901 179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' ILE . 3.2 m-20 -34.26 103.97 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.287 0.367 . . . . 1.0 110.67 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.47 -49.51 0.74 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.923 -0.656 . . . . 1.0 111.892 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 178.86 -175.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.66 -0.416 . . . . 1.0 111.043 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -74.05 142.89 45.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.89 138.82 50.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.4 171.66 13.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.138 -0.785 . . . . 1.0 111.138 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG12 HD12 ' A' ' 70' ' ' LEU . 1.5 t -125.41 138.11 55.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.673 0.273 . . . . 1.0 110.438 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.75 161.65 35.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.527 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE2' HD22 ' A' ' 70' ' ' LEU . 5.3 m-85 -79.48 172.89 13.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.446 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . -50.21 129.36 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.519 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -63.58 140.79 58.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.582 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -84.21 92.54 7.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.565 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.18 105.16 2.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 4' ' ' HIS . 7.0 p80 -85.92 -37.88 18.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 1.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 1.1 t-80 -51.89 112.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.547 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -77.9 156.94 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.604 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' HIS . 7.2 t-80 56.91 109.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.422 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -136.53 -163.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.568 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 47.39 98.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -162.07 140.09 8.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.537 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -169.55 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.625 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 m -151.53 128.05 10.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -106.87 129.52 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.302 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 tt -102.58 144.67 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 mt -101.95 144.67 30.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.44 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -126.21 148.06 49.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.291 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' O ' HD13 ' A' ' 87' ' ' ILE . 51.2 t30 73.86 53.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.9 mm -93.27 117.51 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.258 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -65.91 162.49 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.533 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 47.0 Cg_endo -70.92 0.1 7.03 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.645 2.23 . . . . 1.0 112.136 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 81.9 t60 -108.47 21.91 16.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.825 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -87.17 135.34 33.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 145.14 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.23 -21.67 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.581 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -47.54 73.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.681 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 m -69.28 -42.02 76.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.703 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.61 -25.26 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.752 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.0 mmt -74.92 -59.66 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.755 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -67.46 -24.2 65.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.038 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.94 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.162 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.9 mt -102.03 7.53 41.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.472 -0.331 . . . . 1.0 111.106 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.6 -53.41 61.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.56 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.13 -5.27 15.66 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.043 1.829 . . . . 1.0 112.155 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.6 m-85 -99.75 -27.27 13.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.735 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.4 -177.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.657 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.542 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.78 131.43 56.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.749 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.94 -178.77 3.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.411 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.06 128.67 17.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' VAL . 7.3 t -49.26 -38.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.343 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -81.75 3.62 25.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 1.0 111.54 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.52 1.6 12.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.636 -0.257 . . . . 1.0 110.925 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 pt -133.66 132.59 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.78 0.324 . . . . 1.0 110.436 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -132.36 104.36 6.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.469 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.77 105.22 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.068 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.96 136.06 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.602 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -109.29 152.26 25.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.828 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 1.7 ttpm? -90.69 -8.93 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -88.17 -57.81 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.0 13.56 26.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.372 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 22.8 mp0 41.03 31.75 0.15 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.278 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 30.7 mt-30 -157.48 166.8 32.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.573 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -33.49 139.04 0.06 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.828 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -85.29 28.81 0.7 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.45 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 80.01 22.14 64.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 62.4 m-85 -155.75 147.29 22.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.876 0.369 . . . . 1.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.74 143.35 31.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.544 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.53 131.56 54.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.657 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.58 126.51 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -110.86 152.35 26.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.175 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.65 165.88 11.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.199 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.2 t -60.95 -36.88 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.199 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 m -134.37 -177.99 4.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.57 -48.4 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.689 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.86 -43.74 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.684 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.93 49.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.82 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.514 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.9 p -71.47 -31.89 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -53.84 21.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.669 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -59.45 -22.06 60.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.301 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 -37.84 26.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.243 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -82.55 -30.29 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 1.0 110.183 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.6 mt -73.86 -35.63 43.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -82.74 -35.15 26.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -79.87 -11.89 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.433 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -67.24 -29.99 69.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 1.0 109.983 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.88 138.34 48.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.031 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -56.07 37.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.0 Cg_endo -76.47 114.27 3.84 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.026 1.817 . . . . 1.0 111.961 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.6 Cg_exo -47.91 -177.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.866 1.711 . . . . 1.0 111.96 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 73' ' ' LEU . 42.6 tp -74.75 123.15 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.026 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -123.75 116.29 22.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 1.0 110.946 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 83' ' ' ASP . 77.6 mt -116.2 136.08 54.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 1.0 109.342 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 82' ' ' ILE . 29.6 m-20 -33.36 104.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.385 0.428 . . . . 1.0 110.933 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.88 -56.83 0.53 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -174.5 178.39 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.0 110.69 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.74 141.37 56.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.817 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.17 136.65 56.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.675 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.59 171.25 13.63 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.117 -0.793 . . . . 1.0 111.117 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.17 140.14 49.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 1.0 110.459 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.02 152.82 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.532 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -72.26 172.92 9.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.79 75.86 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -62.94 -40.98 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.6 p -56.03 95.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.543 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.974 -1.013 . . . . 1.0 110.571 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.2 15.8 0.06 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.48 ' O ' ' NE2' ' A' ' 5' ' ' HIS . 15.5 p-80 -88.89 -14.59 36.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 141.47 58.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.48 ' NE2' ' O ' ' A' ' 3' ' ' HIS . 41.6 m-70 -137.01 171.95 13.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 22.6 t-80 -154.18 59.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -102.81 -179.93 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -105.25 -57.45 2.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.623 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.5 ttt -79.47 113.08 17.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.69 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -168.54 41.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.597 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -152.81 145.09 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.8 164.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.348 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.413 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.3 tt -145.21 138.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 1.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.4 mt -95.68 138.61 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.136 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -125.42 150.56 47.16 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 t30 63.1 56.03 1.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.802 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -98.27 151.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -87.82 159.09 49.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.742 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 65.7 Cg_endo -74.71 4.73 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.552 2.168 . . . . 1.0 112.379 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 83.5 t60 -107.39 19.66 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.088 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -87.74 138.89 31.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.692 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -135.14 142.31 40.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.599 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -45.6 -22.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 22' ' ' VAL . 13.7 t70 -68.64 -43.14 76.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -72.71 -55.47 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -52.56 -26.13 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.4 mmt -76.31 -60.65 2.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -67.89 -24.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.036 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.41 67.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.249 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -100.56 7.2 44.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.966 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -54.14 56.98 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.6 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.1 -6.43 17.3 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.115 1.877 . . . . 1.0 112.112 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 90.1 m-85 -96.57 -26.43 15.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.699 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.67 179.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.407 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.36 126.95 55.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.551 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.689 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.57 176.53 5.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.241 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.85 128.59 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -49.37 -39.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.318 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 2.17 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.538 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.4 t-20 -115.19 1.91 13.96 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.629 -0.26 . . . . 1.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.488 HG22 HG23 ' A' ' 58' ' ' VAL . 7.4 pt -133.87 141.7 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 120.848 0.356 . . . . 1.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -125.52 98.36 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.278 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.82 100.02 12.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 tt -60.47 135.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.225 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 149.93 31.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -109.17 152.51 25.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -90.39 -4.09 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.689 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.47 -57.51 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 17.36 24.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.607 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.717 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER 42.03 32.81 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.41 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 45.2 mt-30 -156.63 167.01 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.348 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.18 140.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.528 -179.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -83.27 27.99 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.556 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 86.88 23.14 42.98 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.261 -0.736 . . . . 1.0 111.261 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 78.8 m-85 -157.56 146.96 20.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.319 . . . . 1.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.85 146.47 27.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.682 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.8 m-85 -113.62 141.51 47.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.432 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 HG22 ' A' ' 41' ' ' ILE . 14.1 p -142.72 139.33 28.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.931 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' HD22 ' A' ' 60' ' ' LEU . 35.2 tt0 -119.34 152.37 36.87 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.205 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.4 mm? -111.98 165.94 11.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.199 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -59.1 -37.63 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.073 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -136.9 -177.93 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.664 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.36 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.68 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.21 -38.48 65.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.764 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -43.91 95.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.724 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.06 -50.48 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.639 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 p -63.02 -35.3 79.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -58.87 6.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.732 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -52.06 -30.12 24.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.446 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -77.14 -35.35 56.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.69 -26.86 31.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 1.0 110.493 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.1 mt -75.41 -39.2 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.759 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 HG21 ' A' ' 89' ' ' VAL . 19.9 tp -79.16 -33.24 44.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 97.6 mt-30 -81.75 -13.53 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -26.17 62.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 1.0 109.94 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -73.24 137.52 45.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.054 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -55.56 43.05 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.9 Cg_endo -77.92 114.17 3.57 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.074 1.849 . . . . 1.0 111.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.5 Cg_exo -48.3 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 121.829 1.686 . . . . 1.0 111.911 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.5 tp -81.34 118.98 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.95 38.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.998 0.428 . . . . 1.0 110.741 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.9 mt -123.29 136.59 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.498 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.4 m-20 -31.08 104.22 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 111.007 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.17 -60.44 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -174.74 176.94 2.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.35 . . . . 1.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -63.6 140.33 58.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.749 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.44 134.1 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.568 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.52 173.42 15.02 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.361 -0.696 . . . . 1.0 111.361 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.641 HG21 HD23 ' A' ' 73' ' ' LEU . 12.6 t -132.09 139.91 49.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.374 . . . . 1.0 110.306 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.03 157.96 44.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -74.9 172.95 11.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.514 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.41 106.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.554 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 95' ' ' ALA . 9.9 mmtp -81.39 144.98 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.542 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.8 m -76.84 39.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.91 -131.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -140.49 -50.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 1.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -91.98 102.07 14.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -97.01 120.46 37.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.502 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -82.81 -11.1 58.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 55.27 100.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.589 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.61 10.61 2.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.661 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.2 ttp -154.92 112.34 3.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.625 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 9.1 p30 -167.28 23.33 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.703 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -153.01 136.77 16.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.273 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.85 159.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.406 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 13' ' ' ILE . 2.8 tt -132.84 144.55 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -100.41 143.34 30.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -123.88 148.7 46.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.493 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 72.21 60.58 0.13 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.024 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 20.3 mm -102.05 142.31 16.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.574 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -78.03 159.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.251 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 57.9 Cg_endo -72.68 8.73 1.48 Allowed 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.637 2.224 . . . . 1.0 112.36 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -119.66 26.27 9.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.638 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 2.2 m -87.78 137.65 32.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.818 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.19 159.52 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.401 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.98 -24.51 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.623 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -27.59 45.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.758 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -75.06 -30.39 60.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.676 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 mm -85.22 -24.21 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.476 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.7 mmt -71.52 -55.91 6.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.7 m -68.04 -24.7 65.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.092 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.61 -36.41 60.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.453 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.47 7.71 40.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.7 0.286 . . . . 1.0 111.315 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -54.29 56.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.56 -0.291 . . . . 1.0 111.68 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.79 -5.23 15.79 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 122.135 1.89 . . . . 1.0 112.164 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 95.3 m-85 -98.54 -28.62 13.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.788 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.93 -177.61 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.458 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.057 179.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.716 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.24 -174.68 2.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.65 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.69 129.13 17.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.418 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -48.72 -38.86 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.484 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.99 5.2 22.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.65 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.5 t-20 -118.48 0.31 11.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.586 -0.279 . . . . 1.0 110.699 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.83 127.69 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -132.77 128.28 36.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.723 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.5 140.67 29.3 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.767 -0.457 . . . . 1.0 109.767 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.666 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.3 tt -101.29 103.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.854 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -126.12 136.96 53.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.624 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 48' ' ' GLN . 4.7 t0 -110.1 164.2 12.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.424 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 8.0 ttpp -69.09 8.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -77.75 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.593 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.523 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 2.3 m -112.78 9.0 19.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.469 HE21 ' CA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 52.03 34.98 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.4 179.371 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -177.5 173.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.595 179.415 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -35.98 136.03 0.3 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.366 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.526 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 11.4 mtp85 -86.9 26.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.574 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' C ' ' CD1' ' A' ' 55' ' ' PHE . . . 96.78 5.12 58.78 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.043 -0.598 . . . . 1.0 112.181 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -141.97 165.99 25.95 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.147 0.474 . . . . 1.0 110.845 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.79 146.43 22.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -105.77 133.03 51.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.482 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.03 122.76 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -110.35 152.26 26.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.035 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -108.79 165.43 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.7 m -61.81 -36.91 82.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.163 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.3 m -115.24 175.51 5.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.523 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.85 21.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.784 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.405 ' CE ' HE21 ' A' ' 68' ' ' GLN . 5.0 ttt -76.44 -42.2 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.5 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.37 -23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.14 -60.05 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 p -61.33 -34.08 74.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.44 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.405 HE21 ' CE ' ' A' ' 64' ' ' MET . 0.3 OUTLIER -64.23 -55.21 23.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.789 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -22.01 36.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.588 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.21 -36.55 39.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.405 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -82.32 -28.42 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.3 mt -71.0 -36.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.599 HD23 HG21 ' A' ' 89' ' ' VAL . 17.3 tp -83.26 -33.79 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.657 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.81 -11.51 59.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -70.47 -28.49 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 1.0 110.113 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.08 138.14 43.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.981 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -59.71 -53.88 61.26 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.304 -179.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 75.2 Cg_endo -79.28 113.9 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.077 1.851 . . . . 1.0 111.856 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.17 -177.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 121.826 1.684 . . . . 1.0 111.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' HD21 ' A' ' 73' ' ' LEU . 59.2 tp -78.76 122.64 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.835 -0.431 . . . . 1.0 109.835 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.63 116.16 24.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.758 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' ASP . 91.1 mt -115.87 135.81 54.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.657 -0.702 . . . . 1.0 109.463 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 74.0 m-20 -32.72 104.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.392 0.432 . . . . 1.0 111.104 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.57 -56.7 0.55 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -173.9 177.88 2.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 1.0 110.681 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -68.57 142.55 55.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.655 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -119.18 134.46 62.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.661 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.97 161.83 12.63 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.119 -0.792 . . . . 1.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.599 HG21 HD23 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -114.99 141.98 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.682 0.277 . . . . 1.0 110.5 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.57 160.77 39.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -76.94 172.88 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.549 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.56 137.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' ALA . 61.6 mttm 49.72 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 p -59.4 79.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.967 -1.016 . . . . 1.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.37 62.21 0.27 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -68.1 -166.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.645 0.26 . . . . 1.0 110.577 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.526 ' CG ' ' H ' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -123.31 -100.67 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.477 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.526 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 22.9 m170 47.5 -172.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CG ' ' C ' ' A' ' 5' ' ' HIS . 37.6 m80 -150.87 175.12 12.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -164.78 43.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 18.8 m80 54.21 176.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.596 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 58.74 147.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.617 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -173.79 27.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.614 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -152.75 144.45 23.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.444 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.61 165.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.431 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 5.3 tt -148.28 127.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.503 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.1 mt -86.32 150.64 24.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.775 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -131.72 149.78 52.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.348 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.6 t30 71.0 56.72 0.21 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.067 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mm -99.02 126.44 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 20' ' ' HIS . . . -61.51 122.63 72.15 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.201 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 75.2 Cg_exo -44.85 -10.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 121.958 1.772 . . . . 1.0 112.624 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 18' ' ' ALA . 53.6 t-80 -96.51 16.92 17.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 1.0 111.291 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -87.43 152.42 22.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.351 . . . . 1.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.33 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.394 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.5 t -50.06 -24.75 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.616 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -46.85 82.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.688 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 m -72.22 -59.36 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.774 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.89 -27.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.591 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 36' ' ' LEU . 6.7 mmm -77.33 -58.5 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.793 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -59.16 -24.27 62.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.932 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.15 -32.08 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.057 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -101.24 7.43 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.948 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -52.55 60.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.694 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.06 -3.08 13.14 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.176 1.918 . . . . 1.0 112.382 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.439 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.4 m-85 -96.92 -28.09 14.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.829 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.9 -170.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.48 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.497 ' C ' HD23 ' A' ' 36' ' ' LEU . 37.8 t -108.63 119.4 39.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.235 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.822 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -107.42 164.37 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.529 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.678 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.23 130.99 19.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.544 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 38' ' ' VAL . 4.7 t -48.46 -40.34 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.402 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -81.58 2.64 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.591 -178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.678 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 2.01 13.52 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.624 -0.262 . . . . 1.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 HG23 ' A' ' 58' ' ' VAL . 8.4 pt -131.23 137.3 55.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.657 0.265 . . . . 1.0 110.378 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.0 117.2 18.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.844 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.44 106.9 18.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.84 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.2 tt -60.06 100.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.525 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.82 120.85 42.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.73 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.6 164.36 12.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.432 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HD2' HE22 ' A' ' 50' ' ' GLN . 0.0 OUTLIER -86.25 9.03 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.398 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -83.81 -57.65 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.498 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -102.75 2.68 35.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.885 0.374 . . . . 1.0 110.615 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.418 HE22 ' HD2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER 61.38 18.84 9.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 1.0 111.196 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 49' ' ' THR . 1.2 pt20 -172.65 179.82 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.323 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.2 p30 -37.69 131.89 0.94 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 26.6 mtp180 -83.0 26.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.542 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 96.56 4.75 59.21 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 121.071 -0.585 . . . . 1.0 111.696 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -136.33 167.46 21.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 1.0 110.603 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -154.94 133.93 12.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.25 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.54 135.89 41.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.69 HG23 HG22 ' A' ' 41' ' ' ILE . 3.8 p -142.61 135.06 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.76 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.49 148.24 42.81 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -106.38 165.88 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.081 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.2 t -63.99 -36.0 82.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.245 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -123.41 -177.81 3.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.757 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.87 -48.87 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.881 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.17 -40.05 88.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.902 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.95 -40.69 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -56.78 17.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.648 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -60.89 -39.92 91.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.34 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -55.24 37.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.57 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -60.17 -25.11 65.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.988 0.423 . . . . 1.0 110.166 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -80.23 -37.11 33.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.22 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.74 -27.33 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt -73.64 -42.0 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.871 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 89' ' ' VAL . 5.8 tp -76.92 -32.08 57.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.814 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.551 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.4 mt-30 -85.05 -10.55 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.347 . . . . 1.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.97 65.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 1.0 109.955 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -68.72 137.74 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.993 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -56.49 29.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.044 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.9 Cg_endo -76.39 114.49 3.89 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.087 1.858 . . . . 1.0 111.883 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 78' ' ' PRO . 53.1 Cg_exo -47.81 -177.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.83 1.687 . . . . 1.0 111.828 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.72 120.93 24.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.664 -0.414 . . . . 1.0 109.933 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -122.26 117.42 26.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.853 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' ASP . 79.5 mt -118.6 135.43 59.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.447 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' ILE . 10.2 m-20 -31.7 103.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.473 0.483 . . . . 1.0 111.03 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.1 -57.46 0.52 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.08 -177.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 1.0 110.604 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -71.79 139.27 48.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -116.51 133.62 62.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.47 174.15 15.54 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.66 -0.576 . . . . 1.0 111.66 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG21 HD23 ' A' ' 73' ' ' LEU . 10.7 t -132.28 140.15 48.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.359 . . . . 1.0 110.471 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.02 157.87 44.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.626 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -76.94 172.93 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 93' ' ' LYS . . . -64.55 114.41 4.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 92' ' ' ALA . 2.2 tptp 60.35 127.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.552 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.9 m -138.88 80.93 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.92 -1.038 . . . . 1.0 110.659 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . 155.31 -68.46 0.29 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 44.91 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 1.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 2' ' ' GLY . 3.8 m80 -140.78 144.01 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.535 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -59.15 81.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 4' ' ' HIS . 88.1 m-70 -48.13 169.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.502 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' ND1' ' C ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -138.78 21.34 2.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.618 ' CG ' ' H ' ' A' ' 9' ' ' MET . 34.5 t60 -98.3 -169.6 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.618 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 18.6 ttp -85.04 112.86 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -168.81 30.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.455 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.4 m -152.76 138.87 18.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.245 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 pt -106.78 158.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.229 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 ' C ' HD23 ' A' ' 14' ' ' LEU . 6.9 tt -135.5 138.53 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.601 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -99.3 133.52 43.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.172 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -121.34 153.21 38.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.843 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 t30 60.01 56.34 3.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.757 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.4 mm -99.4 153.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.617 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -85.74 160.26 53.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 65.2 Cg_endo -74.73 -0.72 10.2 Favored 'Trans proline' 0 N--CA 1.494 1.556 0 C-N-CA 122.681 2.254 . . . . 1.0 112.433 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -104.74 20.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.135 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -88.03 138.4 31.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.727 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.1 142.45 39.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.462 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.8 t -52.76 -23.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.87 -46.5 84.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.9 m -70.46 -47.43 60.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.599 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.36 -27.81 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.42 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.5 mmt -74.52 -58.26 3.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.654 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -66.54 -24.19 66.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.38 -32.99 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.258 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -103.5 8.12 37.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -52.76 65.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.464 -0.335 . . . . 1.0 111.764 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.75 -3.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.147 1.898 . . . . 1.0 112.396 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -103.61 -27.73 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.961 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 179.14 -178.1 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.654 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -118.81 127.55 53.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -108.56 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.01 129.54 17.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.464 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.7 t -48.29 -39.62 9.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.493 . . . . 1.0 111.464 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -81.84 -0.54 43.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.687 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -112.25 0.71 15.85 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.66 -0.246 . . . . 1.0 111.178 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 58' ' ' VAL . 15.4 pt -123.51 138.51 53.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.786 0.327 . . . . 1.0 110.643 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.9 ttm-85 -132.01 114.61 14.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.54 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.38 100.64 11.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.054 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.686 HG23 ' O ' ' A' ' 44' ' ' ILE . 5.9 tt -62.16 102.86 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.239 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -90.24 146.85 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.531 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.76 157.33 19.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.647 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -90.7 -11.27 40.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.668 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -72.73 -57.78 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.48 17.2 23.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.559 HE21 ' CA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 46.47 28.58 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.098 -179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -155.88 166.23 34.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.08 140.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -86.58 36.06 0.69 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.39 37.39 14.73 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.254 -0.738 . . . . 1.0 111.254 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.41 159.56 33.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 1.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HB3' HD12 ' A' ' 14' ' ' LEU . . . -157.86 152.5 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.568 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 3.1 m-85 -124.62 129.74 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.345 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.62 139.34 41.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.688 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -124.0 152.5 42.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.125 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.75 164.87 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.07 86.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.102 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -118.62 176.18 5.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.18 -29.21 23.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.753 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mtm -75.53 -45.78 36.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.561 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -34.35 8.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.572 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.87 -58.24 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.546 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -60.25 -38.93 84.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.306 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.8 -56.82 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.669 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.2 -28.56 62.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.338 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -38.1 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.585 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.72 -30.38 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 mt -68.91 -42.38 82.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.606 HD21 HD22 ' A' ' 80' ' ' LEU . 4.4 tp -77.16 -35.52 55.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.672 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -81.65 -7.76 59.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.409 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 m -72.89 -26.33 61.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.463 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.23 136.61 56.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.548 -0.538 . . . . 1.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.47 -57.6 10.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.57 -0.452 . . . . 1.0 110.594 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -78.42 148.62 23.74 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.922 1.748 . . . . 1.0 111.407 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.64 165.56 32.01 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.022 1.815 . . . . 1.0 111.485 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.606 HD22 HD21 ' A' ' 73' ' ' LEU . 61.4 tp -61.51 115.86 4.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.6 tmtt? -114.36 115.77 27.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.018 0.437 . . . . 1.0 111.242 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' ASP . 86.5 mt -116.88 136.43 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.523 -0.762 . . . . 1.0 109.158 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ILE . 1.3 m-20 -33.06 103.85 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.987 0.423 . . . . 1.0 110.799 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.62 -54.84 0.56 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -177.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.5 t -70.3 142.51 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.628 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mm -123.22 136.92 58.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.48 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.1 161.33 13.49 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.291 -0.724 . . . . 1.0 111.291 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.72 137.91 54.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.693 0.282 . . . . 1.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.19 162.83 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 21.0 m-85 -74.93 172.78 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.55 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.18 117.32 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -101.36 -57.71 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 m 53.58 82.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.512 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.604 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.7 101.07 1.59 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 80.19 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.5 m80 52.27 -126.56 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.506 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -178.15 -42.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.543 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 14.6 p80 -78.85 46.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -87.02 -25.5 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.503 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 9' ' ' MET . 12.8 p80 -74.33 -35.19 63.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.437 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 26.4 ttp -102.81 113.14 26.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -165.49 30.36 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.484 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.4 m -152.79 138.1 17.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.36 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.592 HD11 ' HB1' ' A' ' 66' ' ' ALA . 25.8 mm -106.98 160.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.342 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.454 ' N ' HG22 ' A' ' 12' ' ' ILE . 5.1 tt -142.42 122.64 10.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.04 146.2 35.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.568 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -125.71 148.49 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.341 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 87' ' ' ILE . 55.9 t30 70.51 59.49 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.358 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 87' ' ' ILE . 34.6 mm -98.05 136.93 27.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.355 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.89 159.52 85.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.4 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.5 Cg_endo -72.07 0.2 7.59 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.587 2.192 . . . . 1.0 112.171 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -115.33 29.57 7.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.677 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -87.45 140.11 29.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.662 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.97 142.3 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -21.49 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.9 -60.73 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -63.85 -57.17 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -45.04 -31.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.701 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.876 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.3 mmm -78.1 -58.18 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.932 0.396 . . . . 1.0 110.739 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -61.07 -24.34 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.984 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.83 -32.71 65.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.956 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.17 7.56 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -52.7 61.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.66 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -78.1 -2.73 12.81 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.159 1.906 . . . . 1.0 112.359 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -97.47 -27.07 14.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.49 -170.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 1.0 110.642 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -108.21 123.66 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.34 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.48 171.35 7.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.602 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.09 128.24 16.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.339 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 38' ' ' VAL . 2.8 t -49.54 -39.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.37 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.3 1.63 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.578 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.9 t-20 -114.28 1.65 14.54 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 41' ' ' ILE . 4.8 pt -135.17 127.55 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 1.0 110.517 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 ttm-85 -132.74 130.09 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.698 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -93.31 137.68 32.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.246 -0.434 . . . . 1.0 109.927 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.0 OUTLIER -84.72 96.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.437 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.45 119.83 39.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.639 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.77 164.35 12.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.537 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.16 8.92 19.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.399 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.585 HE22 ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -77.88 -57.49 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.681 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -111.74 12.05 21.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.41 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' NE2' ' N ' ' A' ' 50' ' ' GLN . 3.8 mp0 54.14 31.56 14.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.153 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 19' ' ' PRO . 1.1 pt20 -178.35 173.46 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.366 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -39.64 134.09 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.953 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.585 ' NH1' HE22 ' A' ' 48' ' ' GLN . 12.5 mtp180 -86.45 24.98 1.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.108 0.48 . . . . 1.0 110.75 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 91.61 29.79 11.55 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.401 -0.679 . . . . 1.0 111.401 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 58.7 m-85 -156.77 147.0 21.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 1.0 111.064 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.11 139.65 30.52 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.373 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -102.34 136.02 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.676 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.18 134.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.441 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -120.81 152.78 37.94 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 69' ' ' LEU . 4.6 mm? -108.98 165.39 11.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.041 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -37.7 82.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.149 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -127.71 -177.92 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.513 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.51 -49.35 11.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.764 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 ttp -58.52 -39.58 80.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.723 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.81 -29.06 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 12' ' ' ILE . . . -70.12 -47.48 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.567 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -32.26 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.475 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.59 -58.36 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.716 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -53.74 -26.59 24.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.319 -179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD12 HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -76.4 -37.95 56.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 75' ' ' SER . 5.5 tt0 -82.68 -26.86 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.793 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.2 mt -72.1 -40.7 67.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tp -78.83 -35.56 43.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -81.67 -9.01 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.153 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -73.73 -24.62 59.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.542 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.58 135.29 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -56.91 14.13 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.795 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.68 140.63 21.21 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.849 1.699 . . . . 1.0 111.702 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.37 166.07 30.86 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.028 1.818 . . . . 1.0 111.613 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD23 HG21 ' A' ' 87' ' ' ILE . 54.9 tp -63.43 126.83 28.76 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.692 -0.484 . . . . 1.0 109.692 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 81' ' ' LYS . 1.6 tptt -137.9 122.93 19.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.139 0.495 . . . . 1.0 111.005 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -127.39 148.89 32.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.367 -0.975 . . . . 1.0 108.367 178.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.9 m-20 -35.33 102.86 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.807 0.337 . . . . 1.0 110.672 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.34 -57.88 0.45 Allowed Glycine 0 CA--C 1.527 0.821 0 C-N-CA 120.793 -0.717 . . . . 1.0 111.898 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.06 -174.77 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.784 -0.366 . . . . 1.0 111.064 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -73.98 142.5 45.83 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.507 HG21 HD23 ' A' ' 80' ' ' LEU . 3.2 mm -123.89 135.52 63.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.109 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.17 167.39 12.62 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.304 -0.719 . . . . 1.0 111.304 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.424 HG12 HD12 ' A' ' 70' ' ' LEU . 1.4 t -121.78 138.2 52.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.708 0.29 . . . . 1.0 110.429 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.69 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -75.17 169.13 18.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.86 157.2 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.631 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -66.13 -67.43 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.72 94.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.493 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.042 -0.98 . . . . 1.0 110.593 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.38 23.37 71.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -156.79 94.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 1.0 110.561 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.34 160.36 2.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -72.12 159.09 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.528 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' ND1' ' N ' ' A' ' 6' ' ' HIS . 0.3 OUTLIER 41.76 -163.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.522 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.96 135.56 29.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -136.96 -77.54 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.1 ttm -155.47 112.18 3.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.588 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -175.76 36.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.46 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 58' ' ' VAL . 18.6 m -152.77 142.16 21.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.478 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.7 140.32 27.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 57' ' ' PHE . 3.6 mm -115.87 112.06 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.345 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 14' ' ' LEU . 3.5 mt -78.16 138.2 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.297 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.1 ttm180 -123.06 146.59 47.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.468 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' O ' HD13 ' A' ' 87' ' ' ILE . 41.1 t30 77.33 52.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.193 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 mm -95.59 134.77 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 1.0 110.387 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -69.72 158.84 86.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.261 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.29 7.11 2.3 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.47 2.113 . . . . 1.0 112.206 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 69.2 t60 -123.45 29.74 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.667 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -87.36 145.63 26.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.806 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.08 142.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.336 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.1 t -52.09 -23.6 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.646 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -35.59 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.9 m -74.48 -33.03 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.365 . . . . 1.0 111.06 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 mm -85.02 -24.16 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.834 ' SD ' HD12 ' A' ' 36' ' ' LEU . 12.0 mmm -73.89 -57.13 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.668 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.0 m -64.57 -24.45 67.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.67 -32.42 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -100.24 7.29 44.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.915 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -52.64 61.01 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.66 -3.48 13.62 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.061 1.841 . . . . 1.0 112.309 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 73' ' ' LEU . 71.9 m-85 -94.78 -28.81 15.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.56 -169.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.503 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -107.63 123.21 48.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.303 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.51 172.66 6.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.429 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.0 127.99 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.319 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.3 t -49.37 -39.23 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.41 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.87 2.48 26.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.541 -0.299 . . . . 1.0 111.393 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.6 t-20 -114.43 1.51 14.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.722 -0.217 . . . . 1.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 HG23 ' A' ' 58' ' ' VAL . 5.8 pt -134.99 128.65 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.274 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -132.92 137.11 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.809 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.86 138.64 37.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.888 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -88.92 96.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.413 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.43 141.13 28.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.49 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 47' ' ' LYS . 5.0 t0 -109.96 163.72 13.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.702 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -90.83 6.08 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.522 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -57.77 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.704 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.42 15.36 24.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.281 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 27.4 mp0 41.09 33.22 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.529 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -157.4 164.22 37.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.134 0.492 . . . . 1.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -38.76 140.12 0.38 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.055 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -90.74 34.28 0.91 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 81.55 25.32 54.23 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.278 -0.729 . . . . 1.0 111.278 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 81.9 m-85 -155.65 146.85 22.57 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.004 0.43 . . . . 1.0 111.063 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.66 131.32 22.6 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.374 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 13' ' ' ILE . 11.0 m-85 -98.03 137.04 37.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 41' ' ' ILE . 1.6 p -142.48 128.04 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -113.42 151.62 31.13 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.271 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.58 166.51 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.222 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -37.59 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.116 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -129.86 -177.97 4.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.14 -48.94 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.667 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 ttt -54.65 -39.38 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.48 -29.97 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.576 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 -52.8 16.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.539 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 p -61.7 -36.14 80.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.374 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -59.7 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.719 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -51.43 -29.83 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.351 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -36.97 61.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.459 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -82.68 -28.61 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 1.0 110.617 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.4 mt -74.36 -37.4 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.736 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.06 -31.76 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.752 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -83.14 -12.3 57.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.858 -0.337 . . . . 1.0 110.486 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -69.92 -27.05 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 1.0 110.275 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.5 mt -73.25 137.09 44.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.067 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -56.12 31.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.257 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.8 114.11 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.176 1.917 . . . . 1.0 112.059 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.1 Cg_exo -48.75 -176.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.777 1.651 . . . . 1.0 111.892 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 87' ' ' ILE . 55.6 tp -76.14 122.46 24.34 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.847 -0.427 . . . . 1.0 109.847 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -119.38 122.14 41.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.866 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -125.59 131.55 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.025 -0.731 . . . . 1.0 109.025 178.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 65.5 m-20 -33.66 103.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.341 0.401 . . . . 1.0 110.858 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -45.18 0.86 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.943 -0.646 . . . . 1.0 111.626 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.5 pttt 175.34 -175.9 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.796 0.298 . . . . 1.0 110.876 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.37 141.43 43.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 80' ' ' LEU . 3.4 mm -120.75 137.39 54.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.962 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.7 172.41 14.23 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 73' ' ' LEU . 4.3 t -127.7 141.35 46.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.757 0.313 . . . . 1.0 110.362 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -141.75 157.11 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.64 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 11.3 m-85 -76.92 173.08 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.387 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.52 -179.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.91 68.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.492 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.9 p -107.46 59.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.555 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.621 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 3' ' ' HIS . . . -162.14 -46.15 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.405 ' CG ' ' C ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -152.96 111.03 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.356 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -170.89 166.96 7.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.526 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 151.52 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.634 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.65 114.7 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.523 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 7' ' ' HIS . 19.1 t-160 -84.74 -18.83 33.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.639 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -86.96 161.66 18.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.77 146.11 32.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.28 23.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -152.95 133.86 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 pt -106.75 143.4 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' C ' HD23 ' A' ' 14' ' ' LEU . 4.5 tt -116.68 143.96 25.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.558 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -100.98 151.74 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.424 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -133.83 149.42 51.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.406 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 58.2 t30 66.01 59.91 0.68 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mm -102.49 120.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.569 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -62.73 160.22 37.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.352 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.8 Cg_endo -73.35 2.92 5.15 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.555 2.17 . . . . 1.0 112.257 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.513 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.7 t60 -107.51 14.26 26.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.005 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -87.33 139.16 30.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 151.54 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.449 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 t -58.76 -24.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -45.35 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -71.87 -42.31 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.549 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.4 -24.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.435 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.8 mmt -74.57 -57.85 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.662 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -69.19 -24.27 64.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.887 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.54 64.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.17 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.7 mt -101.3 7.48 42.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.041 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -53.92 58.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.635 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.74 -4.63 15.18 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.002 1.801 . . . . 1.0 112.215 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 94.9 m-85 -99.84 -26.81 13.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.94 -179.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.47 ' C ' HD23 ' A' ' 36' ' ' LEU . 1.4 t -113.08 128.58 56.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.468 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.72 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.33 -176.16 2.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.347 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.86 129.63 18.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.5 t -48.39 -39.79 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.507 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -82.13 1.98 33.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.652 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.1 t-20 -115.56 1.09 13.51 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.647 -0.251 . . . . 1.0 110.998 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 HG22 HG12 ' A' ' 58' ' ' VAL . 10.0 pt -127.52 135.0 64.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.89 0.376 . . . . 1.0 110.585 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.62 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.66 110.92 22.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.8 tt -73.08 97.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.686 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -126.13 142.84 51.36 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -108.52 164.17 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.452 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -63.24 2.96 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.774 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -69.13 -57.58 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.628 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.36 19.06 6.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.614 ' NE2' ' N ' ' A' ' 50' ' ' GLN . 1.8 mp0 40.93 33.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.414 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -152.57 166.36 32.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.05 140.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.338 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' CA ' ' HE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -98.31 45.8 1.01 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.975 179.378 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.7 13.42 82.43 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.03 157.27 40.26 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.989 0.423 . . . . 1.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.16 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' CD1' ' A' ' 13' ' ' ILE . 2.2 m-85 -125.78 129.73 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.429 HG12 HG22 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -138.72 128.74 32.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.555 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -116.85 152.58 34.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.332 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.71 165.91 11.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.382 . . . . 1.0 110.049 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.0 p -66.77 -35.3 79.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.289 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -114.66 173.86 6.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.646 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.35 -31.99 21.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.671 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -23.09 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.662 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.91 -14.44 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.85 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.606 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 p -58.88 -36.34 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.382 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -56.42 22.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -62.09 -25.75 67.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.291 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -39.06 31.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -82.57 -26.82 32.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 1.0 110.606 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.2 -41.35 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.955 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 89' ' ' VAL . 5.2 tp -77.69 -33.0 53.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.733 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.19 -10.82 57.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -69.81 -29.13 66.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 1.0 109.965 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.36 140.11 55.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.005 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -57.3 25.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.106 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' PRO . 66.8 Cg_endo -75.96 114.36 3.91 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 122.156 1.904 . . . . 1.0 111.975 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.8 Cg_exo -48.11 -177.04 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 121.811 1.674 . . . . 1.0 112.029 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.16 124.93 29.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.35 120.85 33.32 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.748 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.5 mm -120.91 133.69 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.695 . . . . 1.0 109.334 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' ILE . 28.0 m-20 -31.39 104.03 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.443 0.465 . . . . 1.0 111.135 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.78 -57.61 0.53 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.86 179.46 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.724 0.297 . . . . 1.0 110.708 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 140.95 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -117.47 137.69 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.624 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.02 171.02 14.05 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.265 -0.734 . . . . 1.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG21 HD23 ' A' ' 73' ' ' LEU . 4.0 t -130.27 140.15 49.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 1.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.43 158.73 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.1 163.2 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.448 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.93 108.5 18.29 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.576 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -100.62 -173.13 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.11 31.76 20.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.409 -0.589 . . . . 1.0 109.409 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.98 119.16 2.99 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' HIS . 78.6 m-70 -145.0 -127.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 1.0 110.639 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 54.38 107.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.563 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -80.76 166.19 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.558 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.62 177.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.595 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -67.47 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 12.2 m80 53.02 96.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.514 ' SD ' ' CE1' ' A' ' 91' ' ' PHE . 3.4 ttp 55.66 111.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.09 26.82 0.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.391 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -152.66 145.48 24.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.157 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.88 168.16 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.545 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.26 136.89 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.362 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -97.21 146.89 24.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.625 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -127.81 147.96 50.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.164 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' O ' HD13 ' A' ' 87' ' ' ILE . 43.0 t30 73.09 54.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.183 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.424 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 35.9 mm -95.47 140.63 16.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.286 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -76.68 162.94 68.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.829 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 58.7 Cg_endo -73.43 1.38 6.86 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.812 2.342 . . . . 1.0 112.346 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 1.8 t-80 -116.0 29.76 7.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.913 -179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 1.8 m -87.39 139.2 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.734 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.18 158.71 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -63.44 -22.37 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -68.71 -45.52 71.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.706 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.5 m -65.86 -52.44 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.68 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.6 -24.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.76 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.428 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.9 mmt -77.45 -57.99 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.858 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 92.5 m -67.06 -24.17 65.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.955 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.1 -34.78 64.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.248 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -102.08 7.49 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.142 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -53.97 57.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.501 -0.318 . . . . 1.0 111.576 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.98 -5.13 15.63 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.131 1.887 . . . . 1.0 112.225 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.3 m-85 -101.25 -27.22 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.68 -179.25 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.536 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -115.85 129.74 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.379 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.742 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.75 -175.59 2.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.484 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.84 128.82 17.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.365 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -49.23 -39.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.392 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.48 4.37 21.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.464 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.2 t-20 -117.65 1.4 12.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.886 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 pt -136.21 129.69 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -132.71 129.65 39.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.4 137.22 32.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.719 HG23 ' O ' ' A' ' 44' ' ' ILE . 7.4 tp -83.51 96.21 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.2 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.12 119.56 39.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.966 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.95 157.1 19.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.426 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.4 ttmm -79.36 8.49 6.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.559 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -57.51 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.49 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.53 2.92 36.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.283 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.74 20.15 8.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.148 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 4.2 pt20 -172.63 171.48 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.217 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -36.91 130.59 0.79 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.7 mtp85 -84.05 27.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.901 0.382 . . . . 1.0 110.593 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 87.52 31.68 15.46 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 73.7 m-85 -158.74 147.63 18.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.827 0.346 . . . . 1.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.14 146.77 28.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.468 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.52 139.08 43.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.495 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 58' ' ' VAL . 3.8 p -142.54 129.05 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -117.75 151.98 36.2 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.069 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.83 165.36 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.075 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -64.34 -36.18 83.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.217 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.8 m -117.32 172.76 7.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.674 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.33 -31.1 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.773 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -22.73 48.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -27.95 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.675 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.34 -58.93 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -58.52 -37.85 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -57.76 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -57.61 -28.41 63.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -35.4 55.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.076 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -82.75 -28.74 30.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.8 mt -74.81 -38.31 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.808 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -80.4 -31.46 37.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.789 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -83.58 -12.9 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.508 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -26.12 64.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.854 0.359 . . . . 1.0 110.295 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.35 139.87 46.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.899 -0.592 . . . . 1.0 109.843 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.711 ' CD2' ' H ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -60.86 -53.04 67.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 120.891 -0.323 . . . . 1.0 111.274 -179.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' PRO . 73.0 Cg_endo -77.54 113.67 3.56 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.958 1.772 . . . . 1.0 111.658 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.9 Cg_exo -49.07 -176.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.743 1.629 . . . . 1.0 111.951 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.49 120.95 25.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.911 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -121.28 116.59 25.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.83 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -116.61 135.81 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.666 . . . . 1.0 109.489 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 82' ' ' ILE . 5.7 m-20 -33.14 104.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.425 0.453 . . . . 1.0 111.002 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.64 -56.74 0.54 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -173.91 -178.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.811 0.339 . . . . 1.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.25 141.02 50.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.798 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.6 mm -119.06 135.2 60.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.75 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.25 172.66 14.43 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.26 -0.736 . . . . 1.0 111.26 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 73' ' ' LEU . 3.4 t -128.51 140.47 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.759 0.314 . . . . 1.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -142.63 151.31 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.505 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE1' ' SD ' ' A' ' 9' ' ' MET . 9.0 m-85 -71.37 172.83 8.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.53 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 115.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.619 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -146.72 164.96 31.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.556 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 95' ' ' ALA . 43.7 t -143.65 27.99 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.654 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.31 177.0 30.0 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 71.56 20.74 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 1.0 110.537 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -172.12 45.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.505 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -100.7 -178.53 3.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.675 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -151.49 -44.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.532 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -171.67 73.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.529 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.82 -17.53 20.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm -143.76 115.72 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.625 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -164.3 26.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.602 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -152.74 137.82 17.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.22 159.75 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.27 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.521 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 1.8 tt -137.65 141.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.087 0.47 . . . . 1.0 110.627 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.4 mt -96.75 153.55 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.189 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.22 146.64 50.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.455 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.3 t30 60.84 68.9 0.71 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.819 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' CG2' ' OG1' ' A' ' 21' ' ' THR . 3.6 mm -98.2 146.54 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.255 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -68.37 160.9 73.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.843 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 60.8 Cg_endo -74.51 -10.15 21.89 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.733 2.289 . . . . 1.0 112.461 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.517 ' O ' ' ND1' ' A' ' 20' ' ' HIS . 2.3 t-80 -104.54 23.52 13.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.83 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 ' OG1' ' CG2' ' A' ' 17' ' ' ILE . 91.1 m -87.25 131.4 34.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.13 -177.42 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.337 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.33 -25.21 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.63 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.45 -56.46 9.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.797 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -48.24 80.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.715 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mm -50.4 -38.62 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.4 mmt -69.67 -57.88 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.423 . . . . 1.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -61.6 -24.22 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.318 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.02 -33.38 33.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.732 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.6 mt -103.41 8.07 38.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.635 0.255 . . . . 1.0 111.357 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.7 61.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 111.861 0.319 . . . . 1.0 111.861 -179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.45 -3.83 13.68 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.2 1.933 . . . . 1.0 112.371 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 91.9 m-85 -99.8 -27.63 13.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.068 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 174.19 -179.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 1.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.509 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -112.81 130.91 55.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.432 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -113.18 -175.18 2.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.467 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -143.62 128.66 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.203 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -48.82 -39.07 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -82.12 4.15 24.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.58 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -118.72 1.89 11.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.571 -0.286 . . . . 1.0 110.958 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 pt -132.95 130.84 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.838 0.351 . . . . 1.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.6 115.15 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -91.2 111.25 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.422 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 143.87 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.514 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -120.41 150.47 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.322 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -109.24 151.82 26.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.944 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -90.55 -8.12 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.722 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -86.23 -57.6 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.587 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.75 17.98 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.368 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 1.2 mp0 41.7 30.04 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.983 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 28.9 mt-30 -157.38 164.29 37.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.249 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.73 142.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.388 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -94.49 33.8 1.38 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.17 44.82 9.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.113 -0.795 . . . . 1.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 82.9 m-85 -162.05 146.72 12.66 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.676 0.274 . . . . 1.0 110.767 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.9 138.06 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.649 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CZ ' HD12 ' A' ' 13' ' ' ILE . 1.2 m-85 -107.37 133.07 52.44 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.588 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.69 124.12 19.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.551 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' HD22 ' A' ' 60' ' ' LEU . 58.3 tt0 -110.2 152.6 25.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.123 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 59' ' ' GLN . 4.6 mm? -110.59 165.24 11.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.959 -0.386 . . . . 1.0 109.959 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -65.05 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.314 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 165.88 11.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.832 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.27 -22.15 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.541 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -93.47 -1.48 55.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.05 -7.64 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 1.0 110.349 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.41 -55.98 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.57 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.1 p -61.64 -33.93 74.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.475 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -57.36 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.673 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -59.3 -26.53 65.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD12 HG12 ' A' ' 89' ' ' VAL . 0.8 OUTLIER -76.65 -36.91 57.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.486 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.42 -33.56 28.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.42 -40.76 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.576 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.83 -34.8 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.472 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.458 HE22 HD21 ' A' ' 70' ' ' LEU . 78.7 mt-30 -77.84 -9.74 59.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.57 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.47 -30.05 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 1.0 110.034 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.94 135.55 53.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.601 . . . . 1.0 109.637 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.458 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.58 -51.63 65.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.763 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' PRO . 87.2 Cg_endo -84.56 113.1 1.64 Allowed 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.32 2.013 . . . . 1.0 111.515 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.448 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.8 Cg_exo -47.83 -178.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.846 1.697 . . . . 1.0 111.757 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.63 116.98 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.102 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 2.0 tmtt? -108.69 104.89 14.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.832 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' O ' ' C ' ' A' ' 83' ' ' ASP . 96.4 mt -104.22 136.96 35.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.539 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 82' ' ' ILE . 2.0 m-20 -30.31 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.524 0.515 . . . . 1.0 111.228 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.59 -61.38 0.55 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.78 178.45 4.62 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.868 0.366 . . . . 1.0 110.883 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t -72.84 142.86 47.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mm -110.42 133.9 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.375 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.42 164.12 12.35 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.397 -0.681 . . . . 1.0 111.397 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -117.29 138.1 49.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.741 0.305 . . . . 1.0 110.458 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.63 159.97 41.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.68 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.29 173.0 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.527 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.52 -179.33 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.443 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.9 tptm 60.51 59.18 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -144.07 33.02 1.23 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.653 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.478 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.65 142.51 4.03 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -92.99 -166.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 1.0 110.582 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -137.97 109.26 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.677 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -82.29 112.81 19.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.466 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.91 31.15 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -164.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -96.43 123.41 40.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.519 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 58.83 146.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.617 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.4 t0 -172.68 32.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 m -152.8 127.85 9.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.71 134.46 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.418 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' CE2' ' A' ' 57' ' ' PHE . 79.8 mt -111.21 132.26 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.431 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.25 143.28 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.477 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.6 ttm180 -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' O ' HD13 ' A' ' 87' ' ' ILE . 34.5 t30 79.18 53.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.906 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mm -98.8 130.36 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.789 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -70.87 159.42 85.49 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.133 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.8 Cg_endo -72.06 1.6 5.77 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.54 2.16 . . . . 1.0 112.196 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -110.54 23.17 14.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -87.51 141.38 28.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.13 142.3 40.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.348 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG22 HD23 ' A' ' 43' ' ' LEU . 15.4 t -53.79 -22.33 6.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.62 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -62.47 -52.39 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.759 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -68.71 -58.4 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.86 -27.44 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.639 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.847 ' SD ' HD12 ' A' ' 36' ' ' LEU . 9.2 mmm -77.0 -58.25 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -62.51 -24.36 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.41 -32.18 66.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.949 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.57 7.47 42.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.108 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -53.27 57.55 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.647 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.55 -3.44 13.62 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.177 1.918 . . . . 1.0 112.338 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' HD12 ' A' ' 73' ' ' LEU . 79.8 m-85 -96.69 -26.98 14.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.22 -170.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 1.0 110.705 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -108.03 123.88 49.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.304 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' SD ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.06 171.4 7.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.661 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.96 128.79 17.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.44 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.09 -38.99 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.421 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -82.16 4.69 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.476 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.659 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.2 t-20 -118.55 1.95 11.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 27' ' ' MET . 5.6 pt -134.2 130.62 54.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.916 0.388 . . . . 1.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -132.56 133.35 43.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.693 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.509 HD23 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -101.3 102.08 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.991 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.5 tt -60.15 96.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.199 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -86.04 152.33 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.794 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 47' ' ' LYS . 41.0 t0 -109.62 157.28 19.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.76 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 2.1 tppt? -90.64 -4.14 57.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.486 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.516 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -94.22 -57.54 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.754 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.516 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -92.37 9.95 31.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.467 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 2.7 mp0 43.9 25.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.327 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 49' ' ' THR . 1.1 mp0 -155.91 167.37 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.969 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -35.82 141.39 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.311 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.78 28.37 0.49 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.437 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' N ' ' OD1' ' A' ' 52' ' ' ASN . . . 84.67 24.12 47.37 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CG ' ' C ' ' A' ' 54' ' ' GLY . 43.8 m-85 -155.18 146.82 23.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.415 . . . . 1.0 110.773 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.64 131.51 37.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.237 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 13' ' ' ILE . 8.6 m-85 -99.48 127.23 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 1.0 110.688 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.407 HG12 HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -135.79 137.78 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.335 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -119.74 152.48 37.13 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -108.22 166.11 10.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.111 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -60.62 -37.4 81.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.131 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 5.6 m -139.36 176.82 8.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.737 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -51.01 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.711 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -40.51 60.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.684 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.96 -45.23 82.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.719 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.73 -53.19 59.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.2 p -59.8 -39.49 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -60.02 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -49.94 -29.84 9.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.414 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -75.79 -36.69 59.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.258 179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -82.85 -25.5 32.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.3 mt -77.21 -39.66 28.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.15 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 89' ' ' VAL . 6.1 tp -80.12 -30.83 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.88 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.41 -13.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 t -70.17 -26.15 63.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.996 0.427 . . . . 1.0 110.059 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.88 138.4 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.98 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -56.7 26.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.059 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' PRO . 60.8 Cg_endo -75.58 114.18 3.91 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.078 1.852 . . . . 1.0 111.971 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.8 Cg_exo -48.26 -177.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.854 1.703 . . . . 1.0 111.922 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 73' ' ' LEU . 56.1 tp -77.97 122.24 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -117.03 131.94 56.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.179 0.514 . . . . 1.0 110.906 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' ASP . 87.5 mt -135.55 134.0 51.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.439 -0.8 . . . . 1.0 108.991 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -33.86 104.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.448 0.467 . . . . 1.0 110.866 -179.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.9 -48.64 0.78 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.83 -0.7 . . . . 1.0 111.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 178.93 -176.31 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.554 -0.458 . . . . 1.0 111.122 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t -74.73 142.99 44.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.501 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.441 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.4 mm -120.37 136.59 56.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.888 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.4 173.82 15.69 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.392 -0.683 . . . . 1.0 111.392 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 73' ' ' LEU . 10.2 t -130.28 141.03 47.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.736 0.303 . . . . 1.0 110.59 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.0 163.87 32.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.681 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 93' ' ' LYS . 11.7 m-85 -83.39 173.12 11.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.52 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.78 89.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.531 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' PHE . 10.0 mtpt -137.02 -176.68 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.644 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -178.57 89.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.523 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.67 94.78 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 96.05 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 1.0 110.611 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' C ' ' ND1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -147.23 -80.49 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.54 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -70.41 65.07 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.614 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.39 8.87 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -139.84 35.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' MET . 1.8 t60 -144.06 70.86 1.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.578 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 9' ' ' MET . 7.0 tmm? 55.44 112.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.716 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -174.6 30.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.523 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.2 m -152.91 132.29 12.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.395 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 pt -106.85 127.42 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.82 144.46 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.673 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.31 148.83 24.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -129.68 150.93 50.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.424 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 87' ' ' ILE . 63.0 t30 68.81 55.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 1.0 111.129 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.9 mm -95.74 134.92 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -73.0 162.46 74.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.78 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 Cg_endo -72.13 -3.97 14.3 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.768 2.312 . . . . 1.0 112.252 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.16 22.87 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.824 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -87.35 129.94 34.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.667 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.17 142.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.471 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.2 t -45.31 -24.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.573 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -67.68 -44.88 76.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.715 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.3 m -71.15 -50.33 34.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.701 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.22 -24.58 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HA ' HD11 ' A' ' 36' ' ' LEU . 2.8 mmt -74.6 -57.67 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.743 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.9 m -66.92 -24.27 66.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.024 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.32 64.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.435 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -101.85 7.79 41.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.678 0.275 . . . . 1.0 111.092 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.24 62.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.721 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.42 -4.01 14.25 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.157 1.905 . . . . 1.0 112.231 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.0 m-85 -102.06 -27.68 12.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 176.05 -177.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.727 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.551 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.5 t -116.11 131.4 56.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.329 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.75 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -111.79 -177.42 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.456 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.648 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -145.08 129.87 18.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.468 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -49.05 -39.83 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.347 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -81.07 2.73 25.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.481 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.648 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.0 t-20 -116.65 1.75 12.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.605 -0.27 . . . . 1.0 110.839 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.91 129.16 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 120.877 0.37 . . . . 1.0 110.414 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -132.5 120.46 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.661 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -90.03 139.23 30.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.1 tt -89.7 101.09 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.009 0.433 . . . . 1.0 110.614 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -103.71 123.28 46.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.675 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD2' ' CZ ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -106.17 157.25 17.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.585 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -84.37 9.08 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.177 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -93.38 -57.5 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.594 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.82 -0.48 57.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.447 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 23.17 10.58 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.355 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 19' ' ' PRO . 3.2 pm0 -178.44 174.25 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.137 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -36.21 137.59 0.25 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.059 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CZ ' ' OD2' ' A' ' 46' ' ' ASP . 24.3 mtt180 -91.43 33.3 1.0 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.087 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 81.48 25.27 54.64 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 54' ' ' GLY . 32.3 m-85 -147.95 147.89 30.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 1.0 110.74 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.98 136.64 17.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.385 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.84 130.84 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.78 123.84 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -111.59 152.77 27.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.278 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.27 166.52 10.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.202 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -58.58 -37.2 75.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.26 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -127.94 -178.87 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.712 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.91 -33.53 21.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -25.19 61.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.55 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -71.64 -13.76 61.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.646 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.99 -58.98 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -36.76 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.354 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -57.02 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.572 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.93 -25.48 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -79.74 -38.47 33.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.281 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -82.84 -26.29 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.72 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.62 -40.53 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.054 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 89' ' ' VAL . 5.9 tp -78.75 -31.62 46.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 96.6 mt-30 -85.9 -12.17 51.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.749 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.18 -26.45 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.017 0.437 . . . . 1.0 110.041 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.54 138.29 50.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.009 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -56.49 28.38 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.172 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 79' ' ' PRO . 65.7 Cg_endo -76.35 114.27 3.85 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.147 1.898 . . . . 1.0 111.944 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 78' ' ' PRO . 52.2 Cg_exo -47.91 -177.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.848 1.699 . . . . 1.0 112.025 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.1 tp -79.0 120.4 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.864 -0.421 . . . . 1.0 109.864 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -121.81 116.8 25.11 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.824 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' ASP . 3.6 mm -116.43 133.71 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.34 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' ILE . 7.3 m-20 -32.67 104.04 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.425 0.453 . . . . 1.0 110.974 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.38 -54.23 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 -179.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 1.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 t -71.86 142.57 49.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.716 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.5 mm -121.03 135.98 59.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.701 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.23 173.0 14.49 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.303 -0.719 . . . . 1.0 111.303 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD23 ' A' ' 73' ' ' LEU . 7.9 t -131.88 141.28 45.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.66 0.267 . . . . 1.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -143.06 151.64 41.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.664 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 70' ' ' LEU . 8.4 m-85 -71.06 173.02 8.1 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.476 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . -75.73 121.74 22.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -106.03 -129.8 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -154.87 121.64 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.633 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tpt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' C ' ' CG ' ' A' ' 3' ' ' HIS . . . -98.33 22.68 39.68 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.416 ' CG ' ' C ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER -179.49 146.54 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.572 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.39 -37.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.74 124.72 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 6' ' ' HIS . 8.0 m-70 -53.98 121.77 8.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -3.53 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.65 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.548 ' CG ' ' H ' ' A' ' 9' ' ' MET . 14.1 t-80 -51.96 -175.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.493 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.548 ' H ' ' CG ' ' A' ' 8' ' ' HIS . 4.7 mtt -49.59 144.87 5.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.558 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 62' ' ' SER . 57.5 t0 -172.12 24.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -153.0 123.13 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.61 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.31 136.36 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.167 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 mt -102.84 120.01 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.529 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.27 133.45 37.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.481 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 11.5 ttm180 -117.27 146.85 43.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.423 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.737 ' C ' ' HZ2' ' A' ' 85' ' ' LYS . 40.9 t30 80.19 53.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.8 mm -96.6 124.82 49.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.317 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -71.26 161.29 79.16 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.416 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 41.6 Cg_endo -70.34 4.05 2.67 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.593 2.195 . . . . 1.0 112.227 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 20' ' ' HIS . 33.8 t60 -116.19 27.43 9.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.805 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -87.29 137.91 31.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.861 0.362 . . . . 1.0 110.988 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.14 142.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.479 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.5 t -54.86 -21.64 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.586 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -40.13 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.64 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.0 m -66.67 -56.3 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mm -50.93 -46.21 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.575 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.647 ' HA ' HD21 ' A' ' 36' ' ' LEU . 5.4 mtt -49.84 -59.15 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.006 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -65.75 -28.6 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.9 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -34.85 69.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 34' ' ' ALA . 49.0 mt -101.08 7.34 43.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.013 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.93 59.97 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.645 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.06 -4.74 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.117 1.878 . . . . 1.0 112.211 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.9 m-85 -103.21 -26.5 12.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.831 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 30' ' ' LEU . . . 176.06 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.44 83.16 7.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.616 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.3 OUTLIER -63.15 -174.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.508 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -141.15 127.7 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.54 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' CE ' ' A' ' 27' ' ' MET . 2.2 t -49.44 -39.32 13.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.35 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -80.29 2.35 24.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.409 -0.359 . . . . 1.0 111.542 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.661 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -115.82 1.88 13.49 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.665 0.269 . . . . 1.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 pt -138.44 126.37 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -132.87 119.63 20.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.791 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -93.87 108.01 19.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 44' ' ' ILE . 1.4 tt -59.92 114.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.227 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -104.03 117.04 33.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.175 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.1 160.52 14.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.949 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 4.2 tppt? -87.82 -18.71 28.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.419 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -57.55 8.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.388 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.12 -5.88 46.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.071 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 1.0 OUTLIER 62.0 22.51 13.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.15 179.424 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 19' ' ' PRO . 5.3 pt20 -176.57 178.49 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.446 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 18' ' ' ALA . 2.5 p30 -33.92 130.19 0.31 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.004 -0.544 . . . . 1.0 111.784 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' O ' ' CE2' ' A' ' 55' ' ' PHE . 4.6 ttp180 -78.76 24.18 0.3 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.326 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . 93.89 3.21 64.18 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.139 -0.553 . . . . 1.0 111.88 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -153.04 166.7 31.62 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 122.494 -0.415 . . . . 1.0 110.74 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.18 142.16 16.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.111 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.75 140.7 29.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.888 0.375 . . . . 1.0 110.677 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.43 128.41 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.345 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' NE2' ' OD1' ' A' ' 40' ' ' ASN . 11.4 tt0 -115.17 149.59 37.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.395 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.4 mm? -107.15 166.69 10.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.166 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -58.64 -37.42 75.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.269 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 49.3 m -136.73 172.86 12.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' MET . . . -75.69 -28.93 58.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.648 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -77.15 -21.63 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.618 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -76.02 -19.03 59.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.15 -54.75 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.582 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -36.77 83.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.505 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -54.68 43.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.615 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.17 -23.1 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.75 -38.19 26.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.321 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -82.55 -28.98 30.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 1.0 110.16 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.7 mt -74.8 -36.1 38.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.405 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.2 tp -82.81 -34.31 26.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.645 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -80.62 -12.34 59.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.378 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -28.43 66.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.987 0.423 . . . . 1.0 110.072 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.98 137.84 41.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.159 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.34 -56.13 34.87 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.172 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 79' ' ' PRO . 59.6 Cg_endo -75.84 113.8 3.8 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.133 1.889 . . . . 1.0 112.021 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 78' ' ' PRO . 51.7 Cg_exo -48.55 -176.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.877 1.718 . . . . 1.0 112.022 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 73' ' ' LEU . 38.8 tp -74.53 130.2 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.854 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -127.84 113.84 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 1.0 110.91 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 83' ' ' ASP . 69.4 mt -114.84 135.9 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.445 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 82' ' ' ILE . 62.9 m-20 -32.09 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.4 0.437 . . . . 1.0 111.09 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.91 -56.7 0.55 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.737 ' HZ2' ' C ' ' A' ' 16' ' ' ASN . 2.0 pttt -175.43 -179.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 1.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.477 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 6.7 t -68.19 142.67 55.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 16' ' ' ASN . 3.3 mm -123.14 140.11 47.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.862 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 171.55 13.81 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.22 140.32 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.78 0.324 . . . . 1.0 110.415 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -140.88 163.24 33.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.746 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 8.1 m-85 -82.09 172.95 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.586 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.44 170.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -153.53 -69.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 p 43.03 34.03 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.579 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.563 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.408 -0.59 . . . . 1.0 109.408 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.68 -65.17 0.7 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 179.5 7.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 1.0 110.497 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -101.06 -76.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -91.73 151.52 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.472 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 146.19 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -144.02 11.05 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.505 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 -12.58 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.6 ttt -143.78 113.01 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -172.59 27.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.525 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.732 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 1.3 m -152.67 134.31 14.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.328 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -106.96 159.32 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.397 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' O ' ' OD1' ' A' ' 90' ' ' ASP . 1.9 tt -131.82 144.66 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.448 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.49 146.13 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.393 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -128.37 147.61 50.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.29 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.7 t30 67.71 54.66 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -89.71 132.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.446 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -64.51 158.91 64.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.423 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.477 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 58.0 Cg_endo -72.83 -7.31 20.54 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.485 2.124 . . . . 1.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 46.3 t60 -106.61 22.74 15.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.874 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -87.51 140.12 29.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.11 168.29 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.402 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -23.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.64 -44.46 77.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.679 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.5 m -69.47 -41.46 76.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mm -60.02 -28.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' HA ' HD11 ' A' ' 36' ' ' LEU . 1.7 mmt -70.74 -60.28 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -66.77 -24.38 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.004 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -33.75 63.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 1.0 111.064 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.7 mt -101.74 7.5 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.963 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -53.82 60.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.631 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.65 -5.8 16.36 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.069 1.846 . . . . 1.0 112.193 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 93.1 m-85 -98.15 -27.9 13.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.741 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 173.12 -177.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.495 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.522 ' C ' HD23 ' A' ' 36' ' ' LEU . 5.8 t -114.14 130.85 56.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.738 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -112.55 -175.11 2.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -144.57 129.23 18.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -48.85 -39.36 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.459 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.487 HD22 ' C ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -81.88 3.92 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.586 -179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.657 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 2.4 t-20 -117.75 1.13 12.14 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.608 -0.269 . . . . 1.0 110.809 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -134.47 129.63 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -132.46 105.61 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tt -89.16 105.56 17.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.142 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.78 144.11 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.568 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -116.42 145.86 42.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.241 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -109.61 154.88 22.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.883 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -90.75 -10.44 42.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.462 179.801 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.2 -57.74 3.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.773 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -108.0 8.34 28.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.414 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 50' ' ' GLN . 5.2 mm100 63.95 11.08 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.049 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -139.63 166.57 24.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.57 -179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -35.74 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.719 -0.673 . . . . 1.0 111.378 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -89.01 36.77 0.82 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 79.56 30.86 42.97 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.567 -0.613 . . . . 1.0 111.567 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 70.0 m-85 -156.14 147.4 22.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.771 0.32 . . . . 1.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.73 143.6 22.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.527 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -106.24 136.42 45.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.736 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.48 123.0 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -114.99 152.77 31.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 1.0 109.94 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.38 165.95 11.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 p -63.24 -36.25 83.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.302 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 m -122.63 -177.87 3.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.726 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.86 -47.86 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.98 -39.41 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.657 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.53 -29.34 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.3 -56.49 10.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.649 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.1 p -61.74 -35.97 79.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -55.86 29.23 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.773 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.71 -25.58 67.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.294 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' NE2' ' A' ' 74' ' ' GLN . 0.5 OUTLIER -80.38 -39.31 28.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.358 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.76 -25.2 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.1 mt -77.61 -38.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 80' ' ' LEU . 6.0 tp -80.59 -33.33 36.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' NE2' ' CD2' ' A' ' 70' ' ' LEU . 93.2 mt-30 -84.3 -12.19 55.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.596 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -27.84 65.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 1.0 109.944 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.18 138.46 47.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.097 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -57.12 19.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.294 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' PRO . 58.1 Cg_endo -74.34 114.52 4.05 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.053 1.835 . . . . 1.0 111.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.447 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.28 -175.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.957 1.771 . . . . 1.0 112.0 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 73' ' ' LEU . 48.7 tp -79.15 118.09 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.124 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 tmtt? -119.73 115.94 24.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.671 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' ASP . 78.1 mt -117.55 136.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.729 -0.668 . . . . 1.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' ILE . 16.3 m-20 -31.35 103.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.533 0.52 . . . . 1.0 110.942 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.11 -56.22 0.55 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 pttt -177.85 -177.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 1.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.4 t -68.64 142.51 55.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.909 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -122.2 138.66 51.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.57 169.61 13.0 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.251 -0.74 . . . . 1.0 111.251 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.427 HG21 HD23 ' A' ' 73' ' ' LEU . 12.5 t -130.9 140.21 49.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 1.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -135.63 166.96 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.476 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -85.64 172.77 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 11' ' ' THR . . . -58.57 108.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.513 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.0 -168.44 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.537 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 95' ' ' ALA . 78.7 p -142.9 90.15 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.2 -110.5 3.89 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.605 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 2.2 p-80 -139.57 123.82 17.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 1.0 110.506 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -46.74 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -64.93 148.34 51.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.631 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -62.07 -176.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.605 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.3 128.6 40.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.495 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -79.68 179.39 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.7 mtt -94.03 146.57 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.611 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -176.04 29.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.59 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -152.59 161.84 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.497 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -122.09 169.91 12.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.458 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG2' ' OD2' ' A' ' 90' ' ' ASP . 1.5 tt -147.44 138.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.603 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -92.44 142.57 27.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.271 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -128.26 149.53 50.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.684 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.61 56.4 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.797 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mm -99.45 147.33 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.482 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -86.86 160.67 49.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.702 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 61.0 Cg_endo -74.29 -0.29 9.45 Favored 'Trans proline' 0 N--CA 1.495 1.602 0 C-N-CA 122.776 2.317 . . . . 1.0 112.324 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 56.5 t-80 -99.82 15.82 25.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.218 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.427 ' O ' ' OE1' ' A' ' 51' ' ' GLN . 28.4 m -87.71 129.41 35.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -129.01 142.35 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.502 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 23' ' ' VAL . 2.1 t -41.84 -34.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.636 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -37.14 86.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.703 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' VAL . 22.4 m -73.8 -40.2 63.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.746 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -66.23 -51.27 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.71 -58.91 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -63.67 -33.87 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.289 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.63 70.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.139 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 34' ' ' ALA . 55.2 mt -102.88 7.31 39.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.54 -0.3 . . . . 1.0 110.974 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -54.21 55.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 111.681 0.252 . . . . 1.0 111.681 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -77.12 -6.17 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.14 1.894 . . . . 1.0 112.427 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 96.6 m-85 -100.54 -26.3 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 33' ' ' TYR . . . 171.36 138.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.487 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -85.88 74.61 10.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -52.12 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.615 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 40' ' ' ASN . . . -137.09 129.51 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.503 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.8 t -51.26 -39.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.309 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -80.95 1.87 29.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.433 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.649 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.8 t-20 -114.83 1.64 14.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.699 -0.228 . . . . 1.0 111.024 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 pt -135.27 134.73 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.757 0.313 . . . . 1.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -124.85 113.88 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.666 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.89 101.03 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.07 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.85 97.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.012 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.94 146.12 29.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.723 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.98 161.49 15.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.678 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 12.6 tptt -90.77 -0.45 57.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.732 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -86.9 -57.86 2.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.74 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -107.6 19.66 19.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.267 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 47' ' ' LYS . 16.8 mp0 41.96 28.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.086 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' ASN . 56.5 mt-30 -157.4 161.74 39.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.725 -0.67 . . . . 1.0 110.501 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -30.38 137.65 0.03 OUTLIER 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.901 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -83.13 29.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.309 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 55' ' ' PHE . . . 89.88 24.59 29.58 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 92.1 m-85 -158.15 145.56 18.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 1.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.68 144.45 23.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.629 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -106.93 142.24 36.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.9 p -142.47 138.7 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.761 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -128.65 152.33 48.5 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.302 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -108.82 167.53 10.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.068 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.4 p -58.46 -37.58 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.103 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -125.78 -178.02 4.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.647 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.17 -42.31 14.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.704 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -34.0 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.584 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.24 -35.9 80.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.55 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.533 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -65.35 -31.49 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -58.79 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -48.57 -27.3 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.42 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.7 -35.23 45.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.144 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -82.65 -28.68 30.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.887 0.375 . . . . 1.0 110.322 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.0 mt -73.57 -40.4 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.608 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.96 -32.65 51.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.21 -11.61 57.67 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.441 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -28.09 66.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 1.0 110.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -72.04 138.55 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.055 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -55.89 39.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.215 -179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 79' ' ' PRO . 72.1 Cg_endo -77.48 114.3 3.69 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.192 1.928 . . . . 1.0 111.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 78' ' ' PRO . 50.7 Cg_exo -48.77 -175.81 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.916 1.744 . . . . 1.0 111.779 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.37 118.68 22.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 81' ' ' LYS . 1.7 tmtt? -120.64 116.33 25.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.739 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 83' ' ' ASP . 89.5 mt -115.86 136.17 53.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.475 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 82' ' ' ILE . 57.1 m-20 -33.49 104.06 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.383 0.427 . . . . 1.0 110.958 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.34 -56.49 0.54 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 pttm -174.06 -179.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.741 0.305 . . . . 1.0 110.653 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 t -70.64 142.57 51.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.636 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mm -120.47 134.2 64.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.675 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.79 173.21 14.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.42 -0.672 . . . . 1.0 111.42 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.38 139.54 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 1.0 110.363 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.529 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.7 OUTLIER -144.13 158.08 43.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.498 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -74.33 173.06 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.522 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.91 152.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 mttt 54.34 179.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.1 m -137.4 128.8 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.57 179.975 . . . . . . . . 0 0 . 1 stop_ save_