data_2lvp_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 2lvp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -102.17 139.6 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.969 0.414 . . . . 10.0 111.599 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -128.12 156.28 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.537 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -116.43 107.28 14.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.828 0.347 . . . . 10.0 110.947 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -94.24 117.44 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -100.73 141.7 33.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.0 0.429 . . . . 10.0 110.926 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -110.22 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.322 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.45 -9.01 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.385 . . . . 10.0 110.86 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -10.45 44.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.11 35.01 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.87 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 62.6 tttt -92.69 139.8 30.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 10.0 110.344 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.57 98.34 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -87.98 124.37 41.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.084 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.92 117.55 30.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.218 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.0 mt -119.81 149.53 41.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.189 0.519 . . . . 10.0 111.521 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.35 111.15 23.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.595 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.48 166.04 28.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.626 -0.261 . . . . 10.0 110.492 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -133.38 162.18 59.25 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.22 -31.76 30.23 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.832 2.354 . . . . 10.0 113.693 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -81.08 -5.07 57.21 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -70.66 154.18 42.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.032 0.444 . . . . 10.0 110.301 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.02 144.29 32.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.452 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 48.8 mm -55.09 -38.22 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.235 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 10.0 110.359 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -64.19 -38.24 90.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.331 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.71 -43.25 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.001 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 42.7 mtmt -65.22 -35.33 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.493 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.32 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.38 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.9 mttt -64.32 -40.77 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.121 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.59 -33.42 63.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.138 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.404 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 65.4 tt0 -65.52 -33.85 76.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.73 -27.62 40.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.993 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 74.9 mmtt -81.9 -56.39 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 32.4 mm-40 -97.95 -33.82 11.06 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 96.51 38.06 4.59 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.285 -0.96 . . . . 10.0 112.103 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.19 119.56 50.61 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.43 144.97 70.58 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.905 2.403 . . . . 10.0 111.955 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.78 -26.73 49.01 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.875 2.384 . . . . 10.0 112.868 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -29.92 70.0 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.995 0.426 . . . . 10.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -99.54 10.8 40.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.416 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.0 105.61 15.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.116 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -115.31 103.61 10.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.06 116.63 22.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.427 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.4 HD12 ' CG2' ' A' ' 70' ' ' VAL . 1.5 mp -114.87 138.61 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.021 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -131.76 114.55 14.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.814 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.27 16.07 8.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.146 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 -1.5 34.86 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.562 -0.828 . . . . 10.0 113.527 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -122.81 150.23 43.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.098 0.449 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.81 147.93 26.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.847 0.356 . . . . 10.0 111.281 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.58 131.99 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.021 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.14 140.6 39.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 4.2 m-20 -61.71 -32.36 72.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.515 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 37.12 3.03 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -138.31 161.86 35.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 10.0 110.338 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -108.49 176.26 5.18 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.83 -24.45 63.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.243 0.544 . . . . 10.0 110.337 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -73.75 -26.8 60.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.009 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.43 -25.54 67.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.018 0.437 . . . . 10.0 111.096 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -111.27 9.81 21.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.756 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.5 43.23 28.88 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.298 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -78.84 113.94 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 -168.45 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.471 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -70.03 148.71 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.597 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 59.84 27.46 16.78 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -76.34 140.81 41.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.888 -0.325 . . . . 10.0 110.479 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -93.56 125.79 38.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.72 131.6 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.854 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -96.03 110.7 22.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.77 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.31 105.59 17.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 10.0 110.314 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.4 ' CG2' HD12 ' A' ' 44' ' ' ILE . 46.5 t -85.42 119.55 34.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.4 153.5 29.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.108 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 72' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 10.0 111.726 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 14.9 ptt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.116 -0.328 . . . . 10.0 110.116 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.82 134.0 46.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.4 pt -121.22 159.98 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' B' ' 66' ' ' THR . 77.1 m-85 -118.34 109.84 16.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.846 0.355 . . . . 10.0 111.251 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -97.73 119.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -103.15 129.7 50.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.274 0.559 . . . . 10.0 110.569 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.01 166.76 13.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.542 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.72 -26.83 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -13.16 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.864 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.71 -10.4 52.82 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -63.84 140.59 58.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.292 -0.454 . . . . 10.0 110.092 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -122.33 126.85 48.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 10.0 110.793 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.6 131.35 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.649 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.76 125.38 40.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -120.2 145.7 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.25 0.548 . . . . 10.0 111.88 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.13 107.35 19.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.058 -0.973 . . . . 10.0 109.425 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.2 m -135.37 178.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.86 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 56' ' ' LEU . 8.8 mm-40 -145.68 158.55 49.66 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.25 -27.7 48.84 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.537 2.158 . . . . 10.0 113.305 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -3.72 53.98 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -84.08 152.8 24.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 10.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.406 ' O ' HG21 ' B' ' 26' ' ' VAL . 42.0 p -97.3 156.36 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.942 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.69 -36.7 76.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.958 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.0 -41.71 97.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.514 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.064 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.406 HG21 ' O ' ' B' ' 22' ' ' THR . 58.8 t -63.22 -41.0 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 97.6 mttt -62.83 -40.27 96.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.004 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.39 75.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.523 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.31 -39.48 74.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.036 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.76 -37.37 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.75 -34.94 79.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.28 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.72 -28.75 66.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.128 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -92.68 -64.81 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -81.73 -25.66 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 36.29 22.45 Favored Glycine 0 C--N 1.321 -0.304 0 C-N-CA 120.381 -0.914 . . . . 10.0 112.694 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -102.42 126.15 34.02 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.52 136.81 64.94 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.516 2.144 . . . . 10.0 112.001 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.45 -23.27 74.92 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.965 2.443 . . . . 10.0 112.454 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.82 66.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.406 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -92.98 -0.11 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -92.46 99.28 12.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -104.58 97.79 7.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -88.02 128.31 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.042 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 44' ' ' ILE . 89.7 mt -127.74 129.79 70.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.785 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -113.83 99.24 7.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.726 0.298 . . . . 10.0 110.975 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.49 25.64 14.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 112.329 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.27 -14.19 30.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.668 -0.777 . . . . 10.0 112.588 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -89.95 120.21 30.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.609 -0.348 . . . . 10.0 110.522 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -78.78 119.08 21.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 123.71 27.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.478 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.9 144.93 28.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.464 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 4.6 m-20 -56.96 -48.67 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.797 0.332 . . . . 10.0 111.686 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.17 54.92 4.93 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.516 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.9 mmt180 -139.16 151.5 46.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.449 -0.204 . . . . 10.0 110.449 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.97 150.25 20.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.973 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.9 mt -61.09 -28.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 10.0 111.655 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -70.23 -21.05 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.103 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.26 -18.31 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.692 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.96 -0.45 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.674 0.273 . . . . 10.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 55.32 49.55 16.81 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.436 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.2 mt -85.63 130.19 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -166.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.381 0.61 . . . . 10.0 111.497 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -83.03 147.45 28.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.9 18.23 11.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.985 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 m -80.72 138.91 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.095 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -93.72 130.22 39.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 10.0 111.426 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -114.8 148.85 37.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.527 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -100.78 129.26 46.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.742 0.306 . . . . 10.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.8 tp -112.52 107.38 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.372 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 t -100.48 135.29 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.074 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.794 -179.78 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.007 0.432 . . . . 10.0 110.248 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.326 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.77 99.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.351 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 63.8 mtm -64.96 -42.32 94.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.488 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.38 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.802 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -58.62 -38.43 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.652 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.2 tp60 -70.58 -42.68 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.264 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.61 -35.47 67.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.14 -25.05 67.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.851 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -24.21 31.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 110.343 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.4 mmm -81.73 -34.84 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.838 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.421 ' O ' HG13 ' C' ' 471' ' ' VAL . 7.5 m-85 -123.9 86.78 53.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.607 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -77.63 41.06 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.684 2.256 . . . . 10.0 112.369 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -150.04 6.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.255 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.421 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.2 p -107.86 138.85 20.17 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 121.33 -0.148 . . . . 10.0 110.662 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -65.02 124.98 13.84 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.168 1.912 . . . . 10.0 111.552 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -58.71 -37.35 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.093 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -64.43 -24.16 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 10.0 111.336 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 32.9 mt -84.16 -36.37 22.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 10.0 110.235 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.78 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.331 0.586 . . . . 10.0 109.548 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -24.97 67.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.409 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.89 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.681 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.26 -34.23 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.163 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -23.32 48.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.608 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.61 -11.05 43.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.871 0.367 . . . . 10.0 110.911 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 -35.16 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.246 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.5 p -98.84 -45.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.98 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.64 30.45 8.28 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.653 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.2 t -160.75 127.06 4.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.567 0.222 . . . . 10.0 110.654 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.88 -26.02 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.929 0.395 . . . . 10.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 39.1 mp0 -68.19 -24.0 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.931 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.28 -47.88 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.829 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.538 ' O ' HG13 ' C' ' 493' ' ' ILE . 25.9 m -52.78 -64.43 0.82 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -41.63 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 10.0 112.117 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 23.0 t70 -66.51 -48.18 70.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.077 0.465 . . . . 10.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -21.82 66.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.924 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.538 HG13 ' O ' ' C' ' 489' ' ' THR . 51.5 mt -63.3 -39.59 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -31.02 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.571 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -88.98 135.62 33.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.049 0.452 . . . . 10.0 111.863 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -123.03 161.83 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.255 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -117.71 104.07 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 10.0 111.586 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -92.16 123.49 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.411 ' O ' ' HE3' ' C' ' 467' ' ' MET . 7.8 tttp -107.74 132.18 53.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.027 0.441 . . . . 10.0 110.979 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.3 p -99.29 165.9 11.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.508 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.72 -12.88 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.117 0.484 . . . . 10.0 110.762 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.95 -3.01 57.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.89 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.91 35.71 20.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 10.0 112.154 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.3 144.67 44.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.79 120.78 40.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.122 0.486 . . . . 10.0 110.414 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.45 118.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.194 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.17 24.05 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.08 144.33 44.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 10.0 111.815 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.87 100.81 12.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.465 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 1' ' ' MET . 20.5 m -125.53 174.5 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.54 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HD11 ' A' ' 56' ' ' LEU . 54.6 mm-40 -129.05 157.92 74.39 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.31 -26.74 53.91 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.658 2.239 . . . . 10.0 112.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 9.46 28.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.79 141.52 31.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.078 0.466 . . . . 10.0 110.477 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.68 144.32 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.305 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.31 -40.36 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.057 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -57.95 -42.3 84.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.52 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.01 -39.16 90.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.241 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 22' ' ' THR . 61.0 t -60.78 -43.11 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.692 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -65.4 -35.43 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.436 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.36 86.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.801 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -64.71 -37.87 89.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.995 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.58 -38.12 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 121.356 0.598 . . . . 10.0 109.65 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.34 -36.08 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.89 -30.93 68.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.005 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -96.46 -44.59 7.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -89.64 -34.65 16.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.08 11.95 53.38 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.594 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -92.91 119.86 67.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -53.95 137.83 69.2 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.788 2.325 . . . . 10.0 112.315 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.15 -18.98 67.65 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.905 2.403 . . . . 10.0 111.961 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.02 -25.47 62.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.087 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -102.75 8.01 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.18 116.88 33.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.403 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -118.09 99.15 6.69 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.147 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.11 140.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.868 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -132.67 112.33 11.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.782 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 10.99 7.58 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.966 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.35 -15.32 17.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.391 -0.909 . . . . 10.0 113.035 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -103.39 149.15 25.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.959 0.379 . . . . 10.0 110.315 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.45 144.96 27.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.014 0.435 . . . . 10.0 110.766 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.82 137.19 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -82.31 145.51 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.103 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.8 -38.48 91.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 10.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.25 41.85 3.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.092 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -136.71 165.44 25.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -109.77 169.0 8.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.677 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 18' ' ' GLU . 45.1 mt -64.24 -34.59 78.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.633 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.7 m -67.9 -19.07 64.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.278 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.88 -24.86 61.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 10.0 111.131 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -114.3 12.95 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.81 32.79 22.56 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.34 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.1 mt -79.11 109.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -99.24 -166.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.017 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -70.98 151.77 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.938 0.399 . . . . 10.0 111.854 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 64.13 11.17 6.02 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.136 -0.938 . . . . 10.0 113.086 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -74.45 145.97 43.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 10.0 110.565 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -92.68 125.42 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.62 128.02 54.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.48 118.26 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.679 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.2 tp -99.66 107.92 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.019 0.438 . . . . 10.0 111.052 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.94 136.43 24.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.43 162.82 13.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.378 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.736 0.303 . . . . 10.0 110.504 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.194 -0.298 . . . . 10.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -115.45 132.92 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.384 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -121.46 151.57 24.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.022 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' B' ' 66' ' ' THR . 47.9 m-85 -108.57 116.66 32.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.706 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -105.93 119.46 55.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -106.09 124.88 50.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.918 0.389 . . . . 10.0 110.978 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 64.7 p -82.89 169.59 15.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.606 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.46 -27.49 69.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 10.0 109.81 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -20.55 61.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.073 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.64 18.6 20.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.877 -0.678 . . . . 10.0 112.5 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.481 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 83.9 tttt -88.25 122.19 31.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.709 0.29 . . . . 10.0 110.453 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.63 105.19 17.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.06 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.19 125.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.049 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -90.5 137.6 32.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -130.69 134.2 46.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.807 0.337 . . . . 10.0 111.412 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -87.92 108.95 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.73 163.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.129 0.49 . . . . 10.0 111.407 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' O ' HD12 ' B' ' 56' ' ' LEU . 72.3 mm-40 -120.39 158.46 51.06 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.09 -34.56 78.56 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.242 1.961 . . . . 10.0 112.598 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.31 1.79 20.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -77.19 146.32 37.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG21 ' B' ' 26' ' ' VAL . 2.9 p -94.19 150.57 20.19 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.763 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.75 -37.2 52.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.151 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.75 -42.01 98.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.598 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.58 -35.65 77.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.417 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.5 t -60.53 -45.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 55.0 mtmt -65.62 -32.42 73.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.483 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.49 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.25 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.0 -35.85 79.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.153 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 26' ' ' VAL . 19.7 mt -73.35 -32.52 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.418 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 31.1 tt0 -63.64 -28.92 70.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.252 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.01 -30.78 39.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.174 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -87.02 -50.09 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.96 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.481 ' CD ' ' HZ1' ' B' ' 11' ' ' LYS . 54.9 mm-40 -92.09 -25.92 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 82.87 26.71 44.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.591 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.43 124.65 37.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.566 0.183 . . . . 10.0 110.794 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 137.74 72.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.794 2.33 . . . . 10.0 112.411 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.02 -21.98 44.62 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.038 2.492 . . . . 10.0 113.396 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.1 -27.51 61.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.401 0.619 . . . . 10.0 110.57 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -98.96 13.04 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.885 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -112.96 124.31 52.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.736 0.303 . . . . 10.0 111.732 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -122.71 110.94 16.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.891 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -98.59 132.96 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.097 0.475 . . . . 10.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.97 131.65 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.006 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -115.92 106.53 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 10.0 111.041 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 24.66 12.27 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.588 -0.733 . . . . 10.0 112.383 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.98 -15.83 43.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.115 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -93.85 114.33 26.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.25 135.37 50.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -85.73 131.55 34.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.864 0.364 . . . . 10.0 111.227 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.57 141.08 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.856 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -53.43 -48.33 68.85 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.424 0.453 . . . . 10.0 111.82 -179.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.6 51.84 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.978 -0.63 . . . . 10.0 113.072 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 54' ' ' ARG . 39.1 mmt-85 -143.53 166.02 25.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.4 p -106.58 177.7 4.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.614 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.498 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.6 mt -76.14 -36.09 58.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.673 0.273 . . . . 10.0 110.621 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -21.7 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.015 0.436 . . . . 10.0 110.332 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -57.79 -31.87 66.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.201 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -111.11 11.72 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.809 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 58.2 47.34 14.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.925 . . . . 10.0 111.899 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -84.99 130.46 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -120.06 -167.62 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 10.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -75.75 154.37 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.301 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.85 21.63 11.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.42 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 m -90.17 157.16 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.872 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.0 m -124.28 139.64 53.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -126.69 156.98 40.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.336 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -102.87 133.15 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.063 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.09 113.0 24.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.383 . . . . 10.0 110.701 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.7 t -95.18 128.17 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.133 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.357 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.0 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.592 0.234 . . . . 10.0 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.99 -39.3 87.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 10.0 110.561 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.69 95.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.567 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.28 -35.53 81.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.394 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.81 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.957 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.07 -38.99 84.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.066 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.3 tp60 -64.64 -45.03 88.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.107 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 89.7 mt -66.09 -35.66 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.288 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.47 -26.22 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -79.97 -27.49 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.228 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 28.4 mmm -84.89 -32.26 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.366 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.403 ' O ' HG13 ' C' ' 471' ' ' VAL . 2.4 m-85 -119.93 79.38 24.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.656 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.97 44.31 1.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.5 2.133 . . . . 10.0 112.26 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.0 21.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.403 HG13 ' O ' ' C' ' 468' ' ' PHE . 12.2 p -131.25 137.9 31.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.351 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.81 128.8 25.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.504 2.136 . . . . 10.0 112.086 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -53.6 -44.91 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.433 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -63.49 -25.77 68.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.7 mt -77.82 -32.74 52.45 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.844 -0.343 . . . . 10.0 110.493 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.5 t -67.53 -40.6 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 10.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.39 -30.75 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.69 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.0 -48.8 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.53 -39.95 94.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.358 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.67 -35.01 71.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 111.073 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -85.25 4.61 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.94 -51.11 2.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.021 0.438 . . . . 10.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 66.9 p -89.34 -41.43 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.534 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? 68.11 27.97 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.471 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.7 t -149.07 121.63 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.14 -26.67 41.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.137 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.76 -29.93 67.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 23.1 mt -88.17 -39.83 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.435 ' O ' HG13 ' C' ' 493' ' ' ILE . 39.5 m -54.7 -51.71 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 10.0 111.729 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 4.6 p -63.85 -39.45 94.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.12 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -62.91 -48.64 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.732 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -55.19 -47.91 74.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' C' ' 489' ' ' THR . 74.6 mt -61.83 -43.76 97.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.866 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -37.46 85.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.587 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.453 -179.71 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.604 0.24 . . . . 10.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -99.92 144.59 28.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.916 0.389 . . . . 10.0 111.319 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.1 pt -131.03 167.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.04 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 66' ' ' THR . 66.0 m-85 -125.11 121.89 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.701 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.84 116.79 53.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.743 0.306 . . . . 10.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -87.58 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 10.0 110.438 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.76 160.26 15.61 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.565 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.4 -16.6 48.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.103 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -78.35 -7.19 56.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.813 0.34 . . . . 10.0 111.451 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 20.64 54.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.643 -0.789 . . . . 10.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 33.0 ttpt -114.94 147.53 39.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -109.28 114.77 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.091 0.472 . . . . 10.0 110.321 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -90.43 117.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 127.73 35.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.855 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.41 155.13 50.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 10.0 111.214 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -104.06 120.23 40.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.22 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 m -135.5 167.32 25.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.828 0.347 . . . . 10.0 111.087 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.2 mm-40 -120.09 158.68 49.8 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.533 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -36.83 97.57 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 122.251 1.968 . . . . 10.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -86.31 5.58 33.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.793 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.6 t0 -68.16 149.62 49.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 10.0 110.54 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -100.14 142.31 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.591 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -52.05 -44.54 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.293 0.371 . . . . 10.0 111.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.44 -44.48 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 10.0 110.557 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.35 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.074 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.24 -42.58 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.893 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -66.07 -34.05 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.273 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.71 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.945 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -66.37 -33.42 75.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.838 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -74.12 -30.11 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.434 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 37.5 tt0 -70.18 -32.34 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.239 -0.892 . . . . 10.0 110.095 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.37 -32.78 58.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -87.83 -55.69 3.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 10.9 mm-40 -87.19 -41.6 13.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.664 0.268 . . . . 10.0 111.657 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 102.57 1.12 49.94 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.059 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -68.11 126.72 92.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.16 134.88 55.05 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.411 2.074 . . . . 10.0 111.946 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.85 -18.29 26.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.739 2.293 . . . . 10.0 112.763 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -28.09 63.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.109 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.88 15.39 24.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.629 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -101.78 111.82 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.412 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -111.43 109.88 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 mt -93.96 114.55 26.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.005 0.431 . . . . 10.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.34 135.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.994 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -129.41 114.78 16.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.26 30.97 17.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.571 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.44 26.57 35.56 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.714 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 34.4 mtmt -138.99 136.77 35.71 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.552 -0.381 . . . . 10.0 110.659 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.24 125.1 29.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.69 147.02 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.716 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.86 145.84 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.815 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -44.64 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.899 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.38 53.22 4.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.978 -0.629 . . . . 10.0 113.434 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -141.98 160.95 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 62.2 p -104.28 172.35 6.85 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 18' ' ' GLU . 80.2 mt -66.78 -29.16 69.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.329 0.585 . . . . 10.0 110.049 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -15.96 62.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.334 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -71.99 -26.14 62.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 10.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -118.62 16.69 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.423 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 58.81 34.98 24.06 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.597 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.55 120.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.957 0.408 . . . . 10.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -108.61 -162.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -76.6 152.01 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.28 18.99 11.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.113 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 m -77.58 136.14 38.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.586 0.232 . . . . 10.0 110.513 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.5 m -93.38 113.1 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.976 0.417 . . . . 10.0 111.234 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 146.28 26.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.481 ' CG ' ' HA ' ' C' ' 467' ' ' MET . 16.3 m80 -104.01 123.93 48.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.681 0.277 . . . . 10.0 110.481 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.35 104.39 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.14 0.495 . . . . 10.0 110.403 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.48 131.72 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.87 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.68 157.33 18.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.467 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.801 0.334 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -98.1 136.59 38.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -125.08 162.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.9 m-85 -119.16 113.35 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.002 0.43 . . . . 10.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.26 119.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -103.02 129.28 49.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.126 0.489 . . . . 10.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -91.18 170.86 9.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.665 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.53 -19.22 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.323 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.31 -8.21 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.888 0.375 . . . . 10.0 110.853 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.36 -7.39 63.93 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.021 -0.609 . . . . 10.0 112.686 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -72.95 119.95 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 10.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.31 111.43 23.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.119 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.59 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.045 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -100.0 137.96 37.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.966 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -132.78 148.6 52.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.005 0.431 . . . . 10.0 111.298 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -93.84 112.79 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.402 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' B' ' 1' ' ' MET . 23.2 m -138.52 179.75 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.925 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -139.63 158.46 68.12 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.84 -28.66 68.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.103 1.869 . . . . 10.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 9.51 28.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.777 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -79.2 157.13 27.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.847 0.356 . . . . 10.0 110.24 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 146.24 27.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.498 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.4 -41.22 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 10.0 110.401 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.91 -42.24 89.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.81 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.0 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 3.2 mmmm -60.93 -40.67 94.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.992 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.88 76.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.661 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.37 -37.77 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.327 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.18 -35.44 63.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.588 0.708 . . . . 10.0 109.306 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.465 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 32.7 tt0 -70.26 -21.69 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.044 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.32 -39.61 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.906 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -77.49 -60.12 2.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.489 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.93 -51.71 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 10.0 111.179 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 115.54 -4.82 21.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 10.0 112.162 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.45 127.16 86.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.511 -0.181 . . . . 10.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.89 133.92 61.15 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.319 2.013 . . . . 10.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.49 -23.35 74.97 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.599 2.2 . . . . 10.0 111.643 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 -25.75 67.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.215 -0.902 . . . . 10.0 111.066 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -111.13 12.69 21.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.797 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.447 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 65.5 mt-30 -96.83 106.36 18.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.115 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -110.79 99.47 8.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.63 125.52 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.103 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -122.25 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.666 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.1 115.42 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.291 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.77 20.02 10.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.701 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.55 -10.92 56.44 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -97.26 130.4 44.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.604 0.24 . . . . 10.0 110.62 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -76.83 137.22 39.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -93.59 122.84 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.886 0.374 . . . . 10.0 111.569 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.708 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.84 -37.19 65.86 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.069 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.04 35.14 2.76 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.281 -0.485 . . . . 10.0 112.892 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -135.35 163.38 30.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -104.99 168.69 8.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.532 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -66.2 -30.72 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.531 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -73.23 -21.55 60.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.19 -34.62 78.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 10.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.09 9.55 32.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.492 . . . . 10.0 111.075 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.79 40.0 10.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.502 0.501 . . . . 10.0 111.037 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -85.36 102.81 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.498 ' HB2' ' NH2' ' C' ' 484' ' ' ARG . 73.1 mt-30 -93.02 176.33 6.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.467 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 8.7 pttt -71.05 164.16 26.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 67.35 2.49 2.88 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.302 0.641 . . . . 10.0 112.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -84.47 148.9 26.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.3 m -99.36 133.42 43.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.422 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.34 143.04 45.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.747 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.15 131.45 45.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.773 0.321 . . . . 10.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.16 106.3 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.274 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.13 132.77 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.497 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.239 179.431 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.996 0.426 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.94 -39.67 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.232 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.35 -40.38 89.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.52 -26.07 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.533 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -77.74 -40.99 39.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.03 -34.05 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.275 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.6 -25.61 68.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.64 -27.96 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 10.0 110.246 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.481 ' HA ' ' CG ' ' A' ' 68' ' ' HIS . 45.0 mtm -82.1 -48.83 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.267 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 16.5 m-85 -115.48 91.63 29.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.715 0.293 . . . . 10.0 110.683 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.61 40.18 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.792 2.328 . . . . 10.0 113.196 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.36 14.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.789 0.328 . . . . 10.0 111.465 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.1 p -116.85 130.89 24.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 120.994 -0.283 . . . . 10.0 110.814 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 129.41 34.69 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.671 2.247 . . . . 10.0 111.909 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.48 -42.96 79.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.215 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -62.71 -26.76 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.595 0.22 . . . . 10.0 111.595 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 16.6 mt -76.16 -39.14 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 10.0 110.005 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.43 -45.8 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.919 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 7.5 mt -63.78 -27.49 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.893 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -68.33 -51.88 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.103 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.11 -33.97 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.718 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -30.19 64.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.363 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 45.6 mt-30 -83.34 -12.06 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.019 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.87 -48.76 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.739 -0.209 . . . . 10.0 111.498 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 16.5 p -83.56 -36.01 24.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.498 ' NH2' ' HB2' ' B' ' 62' ' ' GLN . 5.1 mpt_? 62.94 27.79 16.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.104 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -161.12 124.39 3.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.689 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.56 -28.98 45.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.746 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.635 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 9.7 mt -92.73 -40.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.894 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 37.9 m -53.54 -56.02 20.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.026 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -31.65 72.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.442 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -67.27 -40.44 86.19 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -58.43 -43.57 88.77 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.228 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.88 -46.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.432 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -30.76 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.462 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 10.0 110.479 179.129 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.4 ptt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -105.0 133.49 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.448 . . . . 10.0 111.554 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.67 158.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.705 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -120.57 130.65 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.773 0.32 . . . . 10.0 110.773 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.41 133.48 59.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -104.79 140.52 37.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -114.19 161.7 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.086 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -72.09 -4.47 29.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.392 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.38 39.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.953 0.406 . . . . 10.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.07 43.52 16.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.401 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -128.47 123.54 33.89 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -87.09 128.85 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.521 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.0 mt -113.84 127.27 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -96.39 127.72 42.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.935 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.94 140.14 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 10.0 111.624 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -102.8 107.49 18.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.004 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 1' ' ' MET . 26.6 m -139.08 168.07 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.61 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -113.24 156.13 43.49 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.95 -26.02 56.28 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.816 2.344 . . . . 10.0 113.139 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 13.76 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.908 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -86.68 149.23 25.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.23 144.88 27.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.674 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.85 -43.89 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -34.27 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 10.0 110.681 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -70.88 -22.6 62.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.095 0.474 . . . . 10.0 110.466 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 22' ' ' THR . 94.0 t -77.03 -42.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.059 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.71 82.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.084 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.45 -34.38 75.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.68 -34.76 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.87 -36.09 82.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.964 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.42 -34.49 74.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -85.87 -50.92 6.74 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -93.29 -25.48 17.74 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.2 22.63 51.34 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.312 -0.946 . . . . 10.0 112.233 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -98.7 127.83 34.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.325 -0.25 . . . . 10.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.52 128.1 27.08 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.521 2.147 . . . . 10.0 112.153 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.97 -18.88 29.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.298 2.665 . . . . 10.0 112.814 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.524 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.38 15.66 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 10.0 110.801 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.64 121.94 44.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.044 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -116.51 131.11 57.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -106.66 116.11 31.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.147 0.499 . . . . 10.0 110.318 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.69 133.96 55.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -125.76 109.46 12.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.16 24.69 14.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.428 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.75 -7.27 60.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.819 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -100.02 131.29 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.735 -0.274 . . . . 10.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 130.46 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.64 144.32 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.744 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.7 mt-10 -87.75 143.9 26.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -63.75 -36.0 82.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 31.57 4.12 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.824 -0.703 . . . . 10.0 113.658 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 28.8 mmt180 -123.83 166.79 15.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.95 0.375 . . . . 10.0 110.218 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 24.1 p -107.27 172.53 6.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.783 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.32 -31.31 71.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.171 0.51 . . . . 10.0 110.127 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -21.09 65.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.166 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -63.45 -37.18 86.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -111.08 13.96 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.558 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.55 39.54 24.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.624 -0.717 . . . . 10.0 111.834 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -81.96 112.05 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -103.83 -166.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -71.61 161.33 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.385 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 64.02 15.9 9.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.792 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -89.79 147.33 23.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.84 0.352 . . . . 10.0 110.775 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -107.54 126.9 53.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.814 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.63 141.62 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -99.17 117.13 32.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.639 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.05 100.81 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 10.0 110.192 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -94.47 132.66 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.9 mt -101.56 147.73 26.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.849 0.357 . . . . 10.0 110.365 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -111.47 136.09 51.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.791 0.329 . . . . 10.0 111.298 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.17 165.45 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.593 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' B' ' 66' ' ' THR . 55.2 m-85 -124.15 119.67 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.713 0.292 . . . . 10.0 110.955 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.27 121.36 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -106.2 125.91 51.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.994 0.426 . . . . 10.0 110.947 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -80.87 168.6 18.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.061 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.01 -20.49 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 10.0 110.815 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -19.56 43.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.329 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.29 8.56 30.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.494 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -80.39 122.59 27.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -99.06 114.99 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 10.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.12 128.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.788 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -93.77 123.51 37.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.7 mt -125.62 151.4 46.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 10.0 111.625 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.4 114.64 28.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.347 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -144.93 146.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.194 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -100.47 156.63 35.0 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.38 -29.32 47.7 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 122.697 2.265 . . . . 10.0 113.219 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -85.84 9.11 17.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.891 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -86.86 134.06 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.855 0.36 . . . . 10.0 110.357 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.28 148.43 32.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.52 -38.14 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.01 -41.32 78.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.799 0.333 . . . . 10.0 110.652 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.23 -36.71 82.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 10.0 110.141 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.4 t -64.31 -40.26 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.786 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -40.48 92.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.102 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.73 89.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.6 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.42 -39.07 93.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.329 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.3 mt -70.96 -40.49 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.167 0.508 . . . . 10.0 110.015 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.73 -38.91 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.156 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -0.81 16.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 10.0 112.01 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -123.28 -49.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.956 -0.298 . . . . 10.0 111.766 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.57 -10.65 45.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.2 74.35 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.107 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 123.94 37.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.335 -0.246 . . . . 10.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -57.98 138.75 87.57 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.472 2.114 . . . . 10.0 111.838 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.81 -21.24 47.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.087 2.525 . . . . 10.0 112.903 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -27.43 68.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.497 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.89 17.25 20.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.918 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -99.75 91.49 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.138 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 71.3 mtt180 -92.26 93.02 8.44 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.2 mt -85.23 114.72 22.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.492 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -120.58 129.18 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.317 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -120.82 116.76 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.346 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.25 24.54 13.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.729 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.81 70.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.727 -0.749 . . . . 10.0 112.844 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -97.73 118.73 34.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.26 125.11 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.21 120.25 27.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.269 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.88 148.99 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.293 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.17 44.24 3.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.808 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -142.06 153.88 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.0 p -101.55 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.253 -0.276 . . . . 10.0 110.253 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -72.49 -33.46 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.129 0.49 . . . . 10.0 110.261 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -23.6 64.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.948 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.34 -33.61 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.427 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -108.22 9.83 27.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.291 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 62.18 37.32 14.42 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.716 0.635 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 123.52 31.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.34 -167.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 10.0 111.459 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -73.55 147.28 44.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.283 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 68.08 17.08 9.49 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.702 -0.681 . . . . 10.0 112.066 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -68.86 131.11 44.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 10.0 110.212 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -98.29 123.87 42.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.33 138.49 40.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.431 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -95.0 127.61 41.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.0 107.61 18.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 10.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 11.3 t -103.74 143.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.157 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.362 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.947 0.403 . . . . 10.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -63.25 -42.65 99.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.429 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 52.2 mtm -64.24 -40.39 95.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.9 96.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.85 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.53 -41.29 89.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.382 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.8 tp60 -64.04 -38.93 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.07 -36.65 76.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.508 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -61.7 -27.73 68.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 10.0 109.986 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.59 -26.55 45.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.532 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 53.8 mmm -86.9 -37.91 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.028 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.78 86.17 23.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' C' ' 467' ' ' MET . 5.7 Cg_exo -78.22 49.51 3.04 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.047 2.498 . . . . 10.0 112.593 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -165.11 35.87 0.06 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.058 0.456 . . . . 10.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.1 p -141.09 134.11 14.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.284 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.12 124.35 15.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 10.0 112.002 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -55.66 -39.15 70.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.628 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -62.81 -30.27 71.35 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.975 -0.29 . . . . 10.0 111.401 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 47.5 mt -75.41 -34.14 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.12 -40.86 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 93.6 mt -63.83 -31.53 72.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.304 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.1 -49.87 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 10.0 111.046 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.71 -38.1 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -31.72 67.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.599 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 72.7 mt-30 -78.41 -7.17 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.763 0.316 . . . . 10.0 111.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.68 -50.12 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.768 0.318 . . . . 10.0 111.296 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.0 p -83.26 -45.05 14.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.891 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 67.05 26.5 8.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.635 0.584 . . . . 10.0 111.19 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.4 t -149.62 128.85 12.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.051 0.453 . . . . 10.0 111.013 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.67 -25.82 38.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.832 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.32 -6.15 48.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.092 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 31.3 mt -113.47 -38.93 2.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -62.74 -56.48 17.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -31.3 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.082 0.468 . . . . 10.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.5 -53.59 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.37 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -49.77 -41.12 43.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.961 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.82 -44.18 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.619 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -29.55 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 10.0 110.573 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.099 179.609 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -103.48 133.09 49.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.248 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -121.81 160.88 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.919 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.0 m-85 -113.05 126.22 55.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.804 0.335 . . . . 10.0 110.749 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.61 118.93 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.829 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -97.21 127.13 42.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.089 0.471 . . . . 10.0 110.521 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.56 156.7 17.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.382 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -65.39 -6.83 11.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.14 10.99 37.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.029 0.442 . . . . 10.0 111.081 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 19.18 78.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 10.0 111.693 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 73.1 tttt -91.86 143.37 26.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.578 -0.311 . . . . 10.0 110.687 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -127.9 104.25 7.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.179 0.514 . . . . 10.0 110.234 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.3 135.02 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.159 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -110.22 118.1 35.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.62 152.36 39.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 111.806 -178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -92.17 118.36 30.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.337 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.09 -176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.836 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HD11 ' A' ' 56' ' ' LEU . 22.1 mm-40 -146.74 157.29 47.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 51.7 Cg_exo -53.48 -33.19 66.46 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.342 2.028 . . . . 10.0 112.531 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.82 53.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.013 -0.54 . . . . 10.0 112.202 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.09 136.19 35.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.379 . . . . 10.0 110.574 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.54 149.27 31.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.805 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 54' ' ' ARG . 51.3 mm -56.77 -33.76 41.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.19 0.519 . . . . 10.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.99 -44.28 94.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.392 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.36 -37.21 86.4 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.412 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 30' ' ' ILE . 61.1 t -59.97 -46.42 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.323 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -63.76 -34.34 77.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.26 93.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -35.67 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.099 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 26' ' ' VAL . 70.8 mt -66.6 -36.29 76.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.35 -31.72 69.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.233 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.63 -42.27 95.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -78.97 -66.01 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.387 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 34.9 mm-40 -70.2 -61.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.31 1.3 14.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.045 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.64 122.84 86.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.5 148.94 84.89 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 111.897 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.45 -20.17 39.37 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.765 2.31 . . . . 10.0 112.623 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.42 -18.56 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.149 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -117.79 13.29 14.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.419 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -107.3 96.93 6.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.674 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.8 103.74 13.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.422 -0.955 . . . . 10.0 108.422 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 44' ' ' ILE . 24.8 mt -83.79 136.0 34.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.121 0.486 . . . . 10.0 111.665 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.444 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -131.25 141.59 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 10.0 109.794 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -139.48 123.52 17.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.27 22.32 12.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.698 0.623 . . . . 10.0 112.093 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.05 17.15 44.69 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.657 -0.783 . . . . 10.0 113.692 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -138.83 153.61 48.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.211 0.506 . . . . 10.0 110.647 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.92 153.22 26.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.136 0.494 . . . . 10.0 111.781 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -107.7 147.67 30.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.042 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.2 mt-10 -94.93 143.91 26.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.69 0.281 . . . . 10.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -38.15 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.519 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.59 16.06 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.965 -0.636 . . . . 10.0 113.979 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 37.0 mmt180 -115.07 161.68 18.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.993 0.397 . . . . 10.0 110.043 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 p -106.71 166.4 10.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.505 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 18' ' ' GLU . 85.0 mt -66.45 -28.62 68.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.941 0.4 . . . . 10.0 110.617 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -21.11 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.177 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -62.9 -49.69 73.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 10.0 110.999 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -90.53 13.26 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.384 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 59.08 40.49 21.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.695 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.19 115.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.096 0.474 . . . . 10.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -102.79 -162.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.982 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 36.1 pttt -79.09 160.37 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 38.2 mt-10 73.2 -7.83 1.44 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.175 0.59 . . . . 10.0 111.752 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -64.46 138.77 58.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 10.0 111.11 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.1 m -105.2 117.34 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.497 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.59 149.39 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.622 . . . . 10.0 110.259 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.501 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 33.5 m80 -103.26 136.2 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.335 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 tp -115.29 109.45 17.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.81 129.24 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.792 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.45 137.36 32.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.888 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.462 ' HE ' ' CG ' ' C' ' 491' ' ' ASP . 3.6 ttm180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 10.0 110.619 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -106.95 126.32 52.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.782 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.8 pt -114.37 160.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.968 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.02 118.87 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 111.139 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.08 127.18 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.751 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.11 127.29 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.057 0.456 . . . . 10.0 110.683 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -94.13 164.47 13.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.47 -23.42 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.4 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -22.03 57.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 10.0 110.936 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 29.92 6.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.659 -0.781 . . . . 10.0 112.54 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 82.6 tttt -104.44 132.4 50.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.55 107.08 19.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.833 0.349 . . . . 10.0 110.479 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -98.75 124.99 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.689 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -96.08 127.77 42.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.48 135.31 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.736 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.72 106.37 18.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.58 175.39 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.843 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.521 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -124.62 152.81 69.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.969 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.67 -25.55 68.47 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.473 2.116 . . . . 10.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -85.29 -1.76 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.932 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.13 155.69 30.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.713 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -94.24 148.45 22.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.915 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.19 -38.31 60.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.01 0.433 . . . . 10.0 110.382 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.32 -42.77 82.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.703 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -71.81 -31.33 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.198 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 22' ' ' THR . 84.6 t -61.25 -50.99 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.318 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -24.27 63.2 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.742 0.306 . . . . 10.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.44 83.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 10.0 109.716 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.94 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -71.47 -34.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.36 -39.62 92.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.854 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -83.43 -60.34 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 33.1 mm-40 -85.16 -20.33 30.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -177.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.93 24.05 56.18 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.435 -0.888 . . . . 10.0 112.779 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -100.31 123.36 46.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 122.845 -0.209 . . . . 10.0 110.549 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.85 131.24 44.32 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.456 2.104 . . . . 10.0 111.639 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.9 -21.4 57.45 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.593 2.195 . . . . 10.0 112.589 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -17.44 61.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.223 0.535 . . . . 10.0 110.397 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.6 12.83 21.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.886 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -104.98 118.77 37.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.07 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -112.09 99.64 8.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -93.3 124.54 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.449 . . . . 10.0 110.952 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.42 134.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.53 121.28 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.266 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.65 21.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.921 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.28 90.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.465 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -106.62 130.46 54.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -77.43 135.8 38.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -90.68 124.21 34.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.973 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -88.84 136.19 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.256 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.97 -39.89 66.38 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.94 16.55 11.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.978 -0.63 . . . . 10.0 114.445 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -121.26 165.26 15.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.808 0.804 . . . . 10.0 110.341 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 71.8 p -97.95 173.99 6.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.521 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -69.45 -40.13 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.449 . . . . 10.0 109.958 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 38.9 m -66.49 -20.13 65.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.977 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.4 OUTLIER -57.16 -40.16 76.71 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.936 0.398 . . . . 10.0 110.789 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -104.81 17.07 24.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.699 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 63.54 29.01 15.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.667 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -76.48 119.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.381 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -124.19 -155.81 0.68 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.516 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.04 157.29 37.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.592 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 65.18 17.11 10.9 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.923 -0.581 . . . . 10.0 112.423 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.2 m -85.56 135.99 33.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.983 0.42 . . . . 10.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -104.31 123.45 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.004 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -109.34 134.18 52.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.889 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -96.72 132.76 42.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -116.89 112.56 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.193 0.521 . . . . 10.0 111.557 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.28 129.68 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.786 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.071 -179.631 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.19 -44.05 93.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.916 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.2 mtm -65.9 -39.11 90.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.422 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.17 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.537 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . 0.466 ' O ' ' HG3' ' C' ' 466' ' ' GLU . 13.1 t60 -61.58 -44.5 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.263 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -38.01 85.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.425 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.24 -36.31 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.492 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -65.17 -27.64 68.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.064 0.459 . . . . 10.0 110.249 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' C' ' 462' ' ' HIS . 42.2 mt-10 -72.44 -21.66 61.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.398 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.501 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 1.3 mtm -97.88 -42.07 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 12.1 m-85 -118.99 93.28 46.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.24 12.42 3.02 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.646 2.231 . . . . 10.0 112.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.31 8.79 27.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.254 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 130.3 24.41 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.407 ' O ' HG23 ' C' ' 476' ' ' VAL . 53.1 Cg_exo -56.84 132.32 51.0 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.877 2.384 . . . . 10.0 112.853 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.41 -42.86 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.47 -25.11 67.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.432 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.08 -35.75 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 472' ' ' PRO . 39.7 t -65.64 -42.04 91.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.32 -30.72 69.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.801 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' C' ' 478' ' ' GLN . 4.8 tt0 -60.82 -46.23 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.467 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.62 -40.76 84.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.26 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.48 -31.08 69.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.418 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -76.76 -6.92 54.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.737 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -116.54 -54.28 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.644 0.259 . . . . 10.0 111.601 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.2 p -82.79 -39.94 21.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.738 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 63.61 33.72 13.03 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.525 0.515 . . . . 10.0 110.94 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 29.2 t -155.16 129.04 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.324 . . . . 10.0 111.113 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.72 -18.47 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.402 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.46 -18.3 61.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 10.0 110.545 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 10.8 mt -106.84 -42.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.773 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.3 m -56.85 -58.87 6.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -35.22 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.534 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.462 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 4.2 t70 -71.17 -40.37 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -57.75 -40.63 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.284 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.84 -41.25 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.484 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.2 -44.27 80.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.596 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.455 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.785 0.326 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.46 131.9 54.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.855 0.36 . . . . 10.0 111.042 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -123.2 162.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 132.29 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 10.0 111.085 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -116.89 121.17 67.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.76 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -102.16 135.37 43.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.994 0.426 . . . . 10.0 110.672 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -103.5 172.29 6.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.049 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.3 -16.37 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.366 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -7.07 58.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 10.0 111.243 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.76 10.23 65.26 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.825 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.857 0.361 . . . . 10.0 110.322 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -104.58 126.36 51.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.197 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.05 156.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 122.38 46.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.525 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.9 mt -115.72 136.49 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.206 0.527 . . . . 10.0 112.189 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.09 108.95 20.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.089 -0.959 . . . . 10.0 108.992 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -138.08 -178.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.678 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD11 ' A' ' 56' ' ' LEU . 9.3 mm-40 -139.23 158.04 69.87 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -30.08 74.03 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.176 1.917 . . . . 10.0 112.679 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -1.46 55.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 10.0 112.094 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.77 147.66 39.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.812 0.339 . . . . 10.0 110.674 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 26' ' ' VAL . 1.5 p -93.84 150.19 20.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.236 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -58.92 -37.31 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.17 -42.92 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.171 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.09 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 10.0 110.162 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 22' ' ' THR . 58.3 t -62.35 -42.14 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.219 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.14 -35.66 81.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.565 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.54 78.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.329 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.31 -32.78 73.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.239 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.95 -34.18 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.248 0.546 . . . . 10.0 109.576 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.96 -26.83 63.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.836 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.81 -26.45 49.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -94.96 -57.23 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -88.71 -43.87 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.856 0.36 . . . . 10.0 111.22 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.38 34.09 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.465 -0.874 . . . . 10.0 112.053 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.31 124.5 85.85 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.185 . . . . 10.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.64 131.98 43.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.517 2.145 . . . . 10.0 111.965 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.92 -20.61 37.15 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.126 2.55 . . . . 10.0 112.655 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -32.86 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.328 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 18.27 19.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.796 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -96.26 107.45 19.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -111.17 103.13 11.53 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.18 112.23 21.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.003 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -102.33 133.68 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.577 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -133.85 121.9 22.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.415 -0.811 . . . . 10.0 108.886 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.43 12.59 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.537 0.523 . . . . 10.0 111.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.38 10.69 59.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.525 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -134.53 151.95 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.103 0.452 . . . . 10.0 110.459 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -83.26 145.46 29.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.181 0.515 . . . . 10.0 112.002 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.1 mt -95.33 148.23 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.4 mt-10 -93.22 145.08 24.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.861 0.363 . . . . 10.0 110.866 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -38.46 87.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.436 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.02 37.05 3.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.016 -0.611 . . . . 10.0 113.425 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 54.6 mmm-85 -132.59 160.77 35.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.964 0.382 . . . . 10.0 110.05 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.4 p -102.56 163.5 12.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.209 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' O ' ' A' ' 18' ' ' GLU . 67.7 mt -64.75 -32.98 74.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.769 0.318 . . . . 10.0 111.079 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 m -67.0 -21.6 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.141 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 15.7 m-20 -66.49 -25.39 66.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.115 0.484 . . . . 10.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.94 8.73 20.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.445 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.46 31.3 20.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.12 116.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.054 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.81 -165.76 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.23 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 42.1 pttt -71.81 153.52 41.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.184 -0.302 . . . . 10.0 110.184 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 35.9 mt-10 73.32 -3.67 2.4 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.202 0.601 . . . . 10.0 112.573 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -63.24 141.16 58.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 10.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -106.87 116.45 31.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.034 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.98 142.64 32.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.713 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -103.48 127.13 50.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.647 -0.252 . . . . 10.0 110.376 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.45 116.07 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 10.0 111.135 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -109.28 147.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.031 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.59 -171.63 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 10.0 110.801 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.535 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 17.2 ttt180 . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.626 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.7 ptt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -90.62 133.76 34.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.009 0.433 . . . . 10.0 111.196 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -120.56 159.24 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.889 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' B' ' 66' ' ' THR . 84.4 m-85 -115.91 106.94 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.989 0.423 . . . . 10.0 110.883 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.91 116.21 37.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.536 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.5 126.74 50.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.101 0.477 . . . . 10.0 111.192 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -95.11 164.73 12.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.405 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.95 -8.41 29.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.392 . . . . 10.0 111.218 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -1.77 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.018 0.437 . . . . 10.0 110.68 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.58 13.16 73.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.661 -0.78 . . . . 10.0 112.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 82.2 tttt -94.32 133.3 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.352 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -106.79 113.38 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.094 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.64 135.0 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 138.2 41.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -143.61 147.21 34.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 10.0 111.404 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -97.8 104.29 16.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.031 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.626 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -136.83 160.82 36.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.323 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.423 ' O ' HD12 ' B' ' 56' ' ' LEU . 16.0 mm-40 -115.3 158.9 40.11 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.09 -23.51 53.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 113.377 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.53 5.91 29.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.869 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.91 145.83 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.446 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.2 p -86.98 147.3 25.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.3 mm -54.9 -40.66 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 10.0 110.751 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.61 -44.27 93.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.53 -38.39 87.06 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.24 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.446 HG21 ' O ' ' B' ' 22' ' ' THR . 92.7 t -60.64 -44.95 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.752 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -65.36 -34.21 77.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.538 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.69 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.085 0.469 . . . . 10.0 109.913 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.31 -32.74 61.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.608 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 26' ' ' VAL . 65.8 mt -70.74 -36.88 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -63.03 -31.81 73.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.127 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.78 -35.46 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.172 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -85.39 -58.03 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 12.3 mm-40 -77.09 -39.28 50.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.31 -6.91 56.16 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.655 -0.783 . . . . 10.0 112.038 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.19 125.96 84.24 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.169 . . . . 10.0 110.618 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.43 147.52 56.97 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.944 2.429 . . . . 10.0 112.559 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -63.39 -19.31 67.85 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.944 2.429 . . . . 10.0 112.294 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -35.53 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.578 . . . . 10.0 110.113 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -91.26 1.83 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.13 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.11 113.97 25.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.892 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -114.76 100.54 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.0 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.33 134.05 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.554 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.12 133.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -123.07 110.99 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.873 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.77 6.16 2.58 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.782 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.58 -15.22 9.17 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.709 -0.758 . . . . 10.0 111.921 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -96.65 140.79 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -84.62 138.3 32.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.8 mt -85.59 133.33 34.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.529 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -94.22 142.77 27.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.486 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.81 -49.78 72.29 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.73 0.641 . . . . 10.0 112.73 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 36.51 2.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.033 -0.603 . . . . 10.0 114.524 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 48.7 mmm-85 -130.54 163.86 26.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.172 0.486 . . . . 10.0 109.834 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.4 162.3 13.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.842 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.423 HD12 ' O ' ' B' ' 18' ' ' GLU . 66.9 mt -65.91 -24.93 66.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.925 0.393 . . . . 10.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -72.58 -17.7 61.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.366 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -34.1 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 10.0 111.461 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.54 7.4 44.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.752 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 55.9 49.04 16.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -86.21 131.82 33.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.58 -171.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.253 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -78.1 156.33 30.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.293 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 62.01 22.86 13.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.862 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -84.79 140.19 31.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 59.1 m -97.78 122.15 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.956 0.408 . . . . 10.0 110.802 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.26 149.51 35.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.878 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -97.65 130.2 44.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.561 0.219 . . . . 10.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -112.48 110.39 20.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.279 0.561 . . . . 10.0 110.821 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -102.73 151.35 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.272 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.371 . . . . 10.0 110.567 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.791 0.329 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.79 -46.84 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.93 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 37.2 mtm -62.24 -43.54 98.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -60.51 -42.1 95.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -65.74 -43.07 90.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.851 0.358 . . . . 10.0 110.654 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.07 -33.81 60.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.538 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -62.38 -31.45 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.919 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -72.08 -36.06 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 10.0 110.394 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 5.7 mmm -74.77 -43.98 52.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.237 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -126.66 90.57 49.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.69 3.37 7.86 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.759 2.306 . . . . 10.0 112.591 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -94.36 -4.46 48.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.719 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.63 127.07 27.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.653 0.263 . . . . 10.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.59 141.77 62.28 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.153 2.569 . . . . 10.0 113.222 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.47 -40.53 82.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.685 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -66.31 -26.89 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.294 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.85 -38.94 57.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.946 -0.391 . . . . 10.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.45 -41.7 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.71 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 35.7 mt -64.63 -26.01 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.006 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.78 -49.45 68.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.884 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.77 -34.44 73.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 10.0 110.316 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -28.24 64.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.417 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 73.7 mt-30 -83.41 -7.6 59.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.283 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.87 -56.42 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 10.0 110.706 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.1 p -77.55 -45.61 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.673 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 67.16 26.11 8.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.193 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 21.7 t -147.95 115.54 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.518 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.31 -32.33 35.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.961 0.41 . . . . 10.0 111.738 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.43 -37.43 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.725 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.42 -29.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.374 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 92.4 m -61.84 -59.49 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.476 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -30.6 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.242 0.544 . . . . 10.0 110.061 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.535 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 39.1 t0 -66.48 -47.25 73.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.417 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -57.04 -36.55 70.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.814 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.82 -45.19 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.71 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -39.62 80.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.728 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 49.9 mm-40 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.981 0.419 . . . . 10.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -102.77 135.5 44.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.893 0.378 . . . . 10.0 111.047 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.51 161.77 18.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.337 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' THR . 73.3 m-85 -113.27 131.94 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.73 120.25 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.737 0.303 . . . . 10.0 110.794 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.88 139.42 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.092 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -123.21 159.68 28.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.73 -15.26 63.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.088 0.47 . . . . 10.0 110.854 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -5.43 59.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.04 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.57 31.7 44.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.979 -0.629 . . . . 10.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -114.53 107.85 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.283 -0.265 . . . . 10.0 110.283 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.42 104.44 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.838 0.352 . . . . 10.0 110.643 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -87.44 134.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.09 123.06 48.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -130.09 155.18 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.087 0.47 . . . . 10.0 111.865 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -93.29 116.5 29.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.697 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -134.09 167.66 25.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 56' ' ' LEU . 41.0 mm-40 -121.48 157.67 55.76 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.03 -39.22 92.01 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.102 1.868 . . . . 10.0 112.047 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.69 5.54 24.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.95 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.57 143.76 44.3 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.2 p -89.89 151.51 21.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.01 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -60.82 -33.78 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 10.0 109.903 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.76 -44.65 96.49 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.008 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -63.3 -36.87 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.959 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 22' ' ' THR . 90.1 t -62.91 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.81 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 89.6 mttt -63.13 -39.53 94.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.395 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.164 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.91 -42.74 89.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.041 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 26' ' ' VAL . 67.8 mt -64.9 -34.99 74.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.303 0.573 . . . . 10.0 109.475 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.85 -31.77 71.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.924 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -81.16 -22.2 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.361 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -93.94 -54.42 3.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.817 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -84.75 -44.03 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 10.0 111.285 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -24.76 9.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.366 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.45 123.39 82.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 122.318 0.247 . . . . 10.0 111.264 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.46 148.69 90.74 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.569 2.179 . . . . 10.0 112.205 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.07 -23.32 43.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.222 2.615 . . . . 10.0 112.884 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.53 -29.57 64.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.709 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.54 21.93 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.754 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -106.43 100.15 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -97.98 96.73 8.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.19 126.51 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.379 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -122.45 139.63 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HB3' HD21 ' A' ' 50' ' ' LEU . 62.5 t80 -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 19.94 10.57 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.615 0.572 . . . . 10.0 111.567 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.27 63.15 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.748 -0.739 . . . . 10.0 113.751 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -134.73 152.32 51.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.181 0.49 . . . . 10.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -77.53 151.33 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.3 mt -103.09 141.83 35.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.896 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 64.7 mt-10 -82.74 144.04 30.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.49 ' CG ' ' HZ1' ' A' ' 27' ' ' LYS . 6.9 m-20 -68.99 -30.82 69.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.304 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.99 7.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.122 -0.561 . . . . 10.0 113.266 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -128.32 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.118 -0.327 . . . . 10.0 110.118 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -109.02 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 18' ' ' GLU . 64.5 mt -65.91 -36.62 83.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 m -65.82 -25.79 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.605 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.84 -34.44 77.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.173 0.511 . . . . 10.0 110.195 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -100.79 10.76 40.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.424 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.65 34.43 20.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.75 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.18 124.28 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.189 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -112.24 -164.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.05 154.13 40.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.769 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 67.63 14.73 9.61 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.803 0.689 . . . . 10.0 112.39 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -82.5 148.7 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.799 0.333 . . . . 10.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.3 m -111.49 122.52 48.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.764 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.29 156.84 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -107.7 127.39 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.71 -0.223 . . . . 10.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -107.67 100.53 9.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 10.0 110.153 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.96 136.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.778 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.72 175.91 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.455 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.211 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.412 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -104.99 135.0 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.065 0.459 . . . . 10.0 111.664 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -118.32 152.45 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.87 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -104.41 121.56 43.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.647 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.52 118.41 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -105.32 134.49 48.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.885 0.374 . . . . 10.0 110.695 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -102.29 173.23 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.98 -8.09 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.21 -4.2 46.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 10.0 110.969 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.44 -12.88 67.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.55 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.449 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 86.9 tttt -66.01 126.04 27.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.802 0.335 . . . . 10.0 110.412 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -116.23 111.55 20.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.85 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.48 152.51 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.096 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.81 127.7 56.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.012 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.6 148.53 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.009 -0.277 . . . . 10.0 111.339 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.06 120.54 31.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.759 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -142.92 -177.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -146.69 159.96 42.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.712 -0.848 . . . . 10.0 108.712 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.64 -48.66 15.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.485 2.123 . . . . 10.0 112.228 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -82.61 63.43 6.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 10.0 111.181 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -138.58 123.46 18.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.433 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.8 141.51 51.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.333 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.4 -38.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.601 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.63 -38.62 81.85 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.396 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.17 -36.4 79.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.905 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.43 -39.22 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.927 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -62.41 -34.19 76.26 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.312 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.61 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.195 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.52 -36.18 83.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.02 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.67 -40.96 71.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.24 -42.26 94.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.37 -20.88 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.978 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -103.72 -57.63 2.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.449 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 74.2 mm-40 -82.92 -13.75 55.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 27.21 71.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -103.61 122.74 43.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.54 139.83 88.39 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.584 2.189 . . . . 10.0 111.988 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.24 -20.54 55.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.728 2.285 . . . . 10.0 112.225 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -17.47 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.53 11.11 19.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.951 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.9 106.59 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.37 94.28 4.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 mt -84.73 120.72 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.414 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -119.76 131.72 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.915 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -130.57 127.58 39.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.37 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 27.42 16.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.747 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.94 6.65 86.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.048 -0.596 . . . . 10.0 113.07 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -123.44 140.42 53.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.351 . . . . 10.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.61 137.02 35.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.184 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -89.93 138.52 31.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.629 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -87.89 146.76 25.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.002 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.81 -31.8 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.309 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.37 32.31 5.56 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.956 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.449 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 30.1 mmt180 -126.04 158.34 35.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 10.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 162.54 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.087 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.28 -37.4 87.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 10.0 111.256 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -15.36 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.49 -32.12 70.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.284 0.564 . . . . 10.0 110.104 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.431 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.4 m-85 -103.37 11.26 36.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.082 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' C' ' 484' ' ' ARG . 59.5 t30 60.94 39.32 16.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.554 0.692 . . . . 10.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' B' ' 59' ' ' TYR . 67.3 mt -86.82 103.31 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.577 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.419 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 4.5 tt0 -94.89 -168.79 1.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.543 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 1.0 OUTLIER -72.3 161.12 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 32.5 mt-10 71.5 8.74 6.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.047 0.539 . . . . 10.0 111.907 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.7 m -82.02 144.11 31.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.273 -0.269 . . . . 10.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -108.04 122.8 47.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.26 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.75 134.97 49.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.288 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -94.64 122.25 37.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.756 0.312 . . . . 10.0 110.74 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 tp -101.05 106.18 17.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -98.24 140.85 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.614 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.983 0.421 . . . . 10.0 111.137 -179.455 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -64.82 -41.59 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.215 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.69 88.25 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.717 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.5 mtm -67.52 -40.46 85.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.489 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.78 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.71 -41.23 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.022 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' C' ' 467' ' ' MET . 26.4 tp60 -64.97 -41.39 95.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.315 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.96 -33.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.32 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -64.95 -29.44 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.146 0.498 . . . . 10.0 109.944 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -78.23 -14.01 59.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.23 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.426 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 87.9 mmm -96.18 -37.06 10.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.1 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -132.94 83.1 53.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.693 179.276 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.2 41.69 0.9 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.928 2.419 . . . . 10.0 112.655 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -137.32 -19.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.64 130.91 35.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.494 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.54 130.17 35.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.787 2.325 . . . . 10.0 112.742 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -51.29 -41.97 60.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 10.0 112.288 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -66.46 -30.97 71.43 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.39 -34.24 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.8 -43.88 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.758 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.29 -26.48 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.406 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -65.13 -53.52 43.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.6 -26.78 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.216 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -29.92 66.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -88.77 -6.18 57.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.91 -61.09 1.43 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.14 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.8 p -77.92 -39.24 43.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.022 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.415 ' HB2' ' ND2' ' B' ' 60' ' ' ASN . 7.3 mtt180 57.48 37.77 27.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.321 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -157.18 116.52 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.073 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.79 -23.77 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 10.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.13 -21.69 62.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 19.1 mt -107.43 -40.19 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.247 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.44 ' O ' HG13 ' C' ' 493' ' ' ILE . 21.1 m -56.03 -64.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.902 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -36.05 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.758 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 11.0 t70 -66.54 -54.75 20.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.115 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -16.77 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.475 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 489' ' ' THR . 18.0 mt -65.61 -42.03 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.79 -35.66 75.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.269 -0.878 . . . . 10.0 110.265 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.568 179.385 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -116.28 133.69 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -122.97 160.05 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.177 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' THR . 94.9 m-85 -115.43 129.28 56.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.14 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.3 126.43 74.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -111.4 133.98 53.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 10.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -98.41 171.32 8.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.815 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.7 -14.5 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.148 0.499 . . . . 10.0 110.573 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -8.58 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.686 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.05 17.06 59.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.063 -0.589 . . . . 10.0 113.001 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -95.02 129.64 42.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.928 0.364 . . . . 10.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.16 121.43 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.441 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.57 131.3 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.46 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.8 114.86 27.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.242 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -117.63 147.03 43.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.061 0.457 . . . . 10.0 112.007 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -101.16 119.47 38.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.226 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -143.55 165.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.067 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 26.6 mm-40 -119.5 159.87 44.18 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.4 -27.53 49.37 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.542 2.161 . . . . 10.0 113.18 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.98 1.3 53.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -73.4 128.49 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 10.0 110.776 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.58 145.53 34.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.439 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.16 -38.65 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.984 0.421 . . . . 10.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.69 -39.25 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 10.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -68.64 -37.8 79.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 22' ' ' THR . 99.2 t -62.31 -42.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.186 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -63.33 -32.99 74.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.555 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.19 80.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.79 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.27 -32.5 73.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.667 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -72.3 -44.97 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.785 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -59.73 -34.59 73.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.127 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.62 -26.45 68.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.425 . . . . 10.0 112.051 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.93 -46.97 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.52 -34.94 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.399 . . . . 10.0 111.84 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.51 -24.96 28.27 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.014 -0.613 . . . . 10.0 111.819 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.57 122.9 64.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 122.712 0.405 . . . . 10.0 111.076 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.77 136.71 77.15 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.605 2.204 . . . . 10.0 112.271 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.0 -22.71 56.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.908 2.405 . . . . 10.0 112.662 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.58 -22.11 63.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.41 0.624 . . . . 10.0 110.831 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -104.92 8.6 34.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.289 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.16 115.24 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.263 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -112.03 99.15 7.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.29 119.98 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.923 0.392 . . . . 10.0 110.827 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.96 141.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -139.83 117.36 11.45 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.97 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 6.62 88.09 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.856 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -115.02 143.64 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.244 0.522 . . . . 10.0 110.779 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -88.56 131.03 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.912 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.38 143.56 27.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.9 mt-10 -94.14 149.7 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.708 0.289 . . . . 10.0 110.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -42.89 99.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.76 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 45.28 3.34 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.754 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 29.6 mmt180 -138.4 165.62 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -111.97 170.37 8.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.811 0.339 . . . . 10.0 110.606 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.79 -34.47 78.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.913 0.387 . . . . 10.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m -64.54 -26.98 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.361 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.42 -25.38 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.01 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -111.16 10.57 21.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.735 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.99 27.91 17.75 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.379 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.77 125.86 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.796 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -134.23 -153.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.304 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -68.72 155.56 39.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.271 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 67.72 4.57 3.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.901 -0.591 . . . . 10.0 112.479 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -85.59 130.7 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -101.7 118.48 37.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.16 146.2 24.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.114 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 29.2 m80 -105.59 151.97 23.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.419 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.45 117.88 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.371 0.605 . . . . 10.0 111.914 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.63 145.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.306 -0.861 . . . . 10.0 109.485 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.05 -174.91 2.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.783 0.325 . . . . 10.0 110.891 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 12.4 ttt180 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.786 -0.449 . . . . 10.0 109.786 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -103.31 141.02 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.986 0.422 . . . . 10.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.35 159.94 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.779 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -117.79 115.16 24.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.852 0.358 . . . . 10.0 111.091 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -103.34 114.93 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -103.3 124.36 48.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.15 0.5 . . . . 10.0 110.868 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.77 165.6 14.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.329 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.96 -20.39 57.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.218 -0.446 . . . . 10.0 112.002 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.5 p -83.83 -5.1 59.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.101 0.477 . . . . 10.0 111.025 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.27 -11.54 65.39 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.614 -0.594 . . . . 10.0 111.614 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.66 127.09 30.25 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.869 0.366 . . . . 10.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -114.28 107.8 16.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.285 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.45 133.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.912 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -99.67 120.34 39.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.303 -0.628 . . . . 10.0 109.303 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.45 156.51 33.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 10.0 111.594 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -101.59 120.18 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.219 -0.9 . . . . 10.0 110.102 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.3 m -139.41 173.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 56' ' ' LEU . 47.5 mm-40 -125.76 157.92 67.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.54 -31.14 77.4 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.572 2.182 . . . . 10.0 113.244 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.28 9.72 27.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.925 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.95 138.81 39.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.72 -0.392 . . . . 10.0 110.03 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.404 ' O ' HG21 ' B' ' 26' ' ' VAL . 2.0 m -86.93 143.29 27.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.677 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.512 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 46.5 mm -53.08 -42.19 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.539 -0.3 . . . . 10.0 111.249 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -40.52 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.623 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.1 -35.33 76.34 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.994 0.426 . . . . 10.0 109.898 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.404 HG21 ' O ' ' B' ' 22' ' ' THR . 56.9 t -62.9 -43.59 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 23.6 mtpt -61.72 -39.2 90.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.29 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.59 -41.9 98.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.47 -39.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.244 0.545 . . . . 10.0 109.852 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.28 -37.24 86.46 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.483 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.91 -20.78 61.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.788 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -91.77 -64.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.762 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -80.54 -31.12 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 112.161 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.57 -7.64 59.7 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.863 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.89 122.18 86.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.509 -0.182 . . . . 10.0 110.509 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -55.34 140.71 82.18 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.075 2.517 . . . . 10.0 112.883 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 25.2 Cg_exo -62.52 -22.59 74.19 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.077 2.518 . . . . 10.0 113.117 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.17 -21.92 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 10.0 110.655 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -101.29 -3.94 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.346 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -89.44 120.23 30.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.64 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -121.91 95.5 4.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 mt -82.03 131.19 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.577 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -126.32 131.25 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.35 120.58 27.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.622 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 28.48 17.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.735 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.33 80.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.827 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -108.37 128.58 54.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.667 0.234 . . . . 10.0 110.448 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.15 134.03 40.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -82.37 130.29 35.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.909 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -89.15 135.37 33.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.91 0.386 . . . . 10.0 109.978 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -47.74 19.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.363 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 37.14 2.84 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.663 -0.78 . . . . 10.0 114.343 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.46 ' O ' HG12 ' B' ' 23' ' ' ILE . 54.6 mmt-85 -130.31 166.03 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.339 0.57 . . . . 10.0 110.031 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.1 p -104.89 175.72 5.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.743 0.306 . . . . 10.0 110.203 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.8 mt -70.63 -32.75 70.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.152 0.501 . . . . 10.0 110.206 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.3 m -72.8 -15.32 61.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.726 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.7 m-20 -70.22 -26.7 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.063 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.62 13.93 15.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.213 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 62.1 39.64 12.78 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.408 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.58 90.61 2.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.164 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -79.94 -177.83 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.2 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -71.04 156.71 39.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.056 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.83 12.93 8.71 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.216 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.1 m -83.17 147.1 28.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.718 0.294 . . . . 10.0 110.226 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.6 m -103.81 129.39 51.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 10.0 111.052 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mp -113.28 144.98 41.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.704 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -97.78 125.17 42.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.373 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -102.71 104.62 14.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 10.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -96.9 133.01 40.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.708 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.045 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.477 0.18 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.06 -43.39 98.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -44.83 87.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.822 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.8 mtm -62.71 -43.03 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.822 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.98 97.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.806 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -38.19 90.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.652 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -64.28 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 10.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -71.62 -38.51 67.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.916 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.67 -34.46 72.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.115 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.24 -37.36 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.539 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 14.6 mtm -79.49 -39.98 30.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.903 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.416 ' O ' HG13 ' C' ' 471' ' ' VAL . 27.9 m-85 -120.49 80.31 30.16 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.54 39.19 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.405 2.07 . . . . 10.0 111.891 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -142.38 15.37 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.895 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.416 HG13 ' O ' ' C' ' 468' ' ' PHE . 8.6 p -124.9 132.7 24.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.157 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.12 129.27 32.56 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 10.0 112.783 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.83 -41.61 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -66.07 -27.72 68.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -72.96 -39.67 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.05 -47.58 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.21 -29.82 71.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.46 -51.73 47.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.291 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.64 -34.09 77.08 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.5 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -24.29 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.139 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -91.41 -14.83 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 10.0 110.729 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.57 -52.17 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.116 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 28.4 p -82.24 -34.16 28.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.951 0.405 . . . . 10.0 110.673 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.69 19.62 10.76 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.253 -0.885 . . . . 10.0 111.79 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -154.6 134.73 13.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.012 0.435 . . . . 10.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.64 -15.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.128 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -75.3 -21.44 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.374 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -32.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 10.0 110.956 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 34.9 m -57.93 -51.76 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 10.0 110.877 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 14.7 p -72.08 -33.68 68.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 10.0 110.671 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 56.8 t0 -63.38 -61.34 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.289 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -52.39 -28.27 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.366 -0.834 . . . . 10.0 112.808 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.72 -43.19 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.06 65.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 10.0 110.371 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.5 mm-40 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.303 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.419 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -96.39 133.93 40.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.384 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -124.94 155.99 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.686 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.69 113.34 24.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.048 0.452 . . . . 10.0 111.14 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -96.1 125.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -100.59 137.68 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.506 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -109.16 165.98 11.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.5 mt -73.35 -2.78 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 10.0 111.235 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -2.09 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 10.0 110.831 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.16 -0.36 78.44 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.98 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -82.67 133.27 35.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.736 -0.273 . . . . 10.0 110.499 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.39 133.7 49.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.201 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.31 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.45 119.8 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -116.96 135.83 53.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.12 0.486 . . . . 10.0 111.7 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.85 107.47 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.049 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.61 172.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.471 . . . . 10.0 111.693 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' O ' HD11 ' A' ' 56' ' ' LEU . 74.3 mm-40 -118.25 158.04 47.5 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.58 -24.6 78.74 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 121.77 1.647 . . . . 10.0 111.315 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -4.88 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.962 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -71.81 145.0 48.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.62 150.89 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.172 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.89 -32.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.245 0.545 . . . . 10.0 110.153 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.59 -46.58 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.49 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.93 -33.23 73.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.73 -43.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.065 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -62.81 -34.44 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.151 0.5 . . . . 10.0 110.401 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.36 -40.53 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.074 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -64.62 -33.03 74.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.206 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.84 -46.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -67.17 -28.54 68.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.44 -37.78 73.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.506 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -106.22 -42.42 5.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -85.55 -36.72 20.28 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.662 0.615 . . . . 10.0 112.662 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.42 58.03 2.82 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.027 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -124.15 128.31 25.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.98 125.62 19.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.839 2.359 . . . . 10.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 -20.33 53.75 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.899 2.4 . . . . 10.0 112.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.67 -24.19 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.192 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -106.22 15.85 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.181 0.515 . . . . 10.0 110.757 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -102.37 93.55 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -96.14 96.24 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 133.46 35.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.101 0.476 . . . . 10.0 111.099 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.17 144.42 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.259 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -137.21 114.4 10.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.38 18.58 10.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.733 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 19.86 26.73 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.78 -0.724 . . . . 10.0 113.324 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -137.25 146.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 154.89 38.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.019 0.438 . . . . 10.0 111.484 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.47 130.91 54.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.778 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 mt-10 -83.14 145.63 29.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 10.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.79 -34.58 78.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.357 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.67 41.03 3.05 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.858 -0.687 . . . . 10.0 113.016 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.2 mmt180 -137.12 159.3 42.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 174.48 6.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.0 mt -69.79 -30.27 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 10.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -24.05 62.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.799 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.67 -26.12 68.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.711 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -114.13 15.16 18.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.716 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 56.74 47.69 17.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.313 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -97.43 106.1 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.356 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -97.33 -165.52 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.526 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 48.5 pttt -75.58 152.5 37.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 64.88 20.2 12.05 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.15 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -87.81 153.91 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.1 m -97.58 124.68 41.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 10.0 111.29 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.59 130.97 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.58 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -93.79 132.69 37.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.381 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -119.49 114.83 22.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.038 0.447 . . . . 10.0 111.028 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.33 137.54 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.642 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 14.1 mt -100.46 157.81 16.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.46 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -113.02 146.34 39.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.815 0.34 . . . . 10.0 110.999 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -130.5 158.35 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.096 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' B' ' 66' ' ' THR . 96.6 m-85 -112.24 106.45 15.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.943 0.401 . . . . 10.0 110.742 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.5 t -97.44 118.26 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -102.1 135.4 43.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.817 0.341 . . . . 10.0 110.711 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -103.3 168.13 9.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.12 -22.2 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.058 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -10.56 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.658 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.2 62.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.202 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -91.86 125.42 36.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.632 0.254 . . . . 10.0 110.343 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.57 124.33 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.912 0.387 . . . . 10.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -107.65 126.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.366 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.87 108.84 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.19 143.89 39.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.427 0.632 . . . . 10.0 112.24 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -92.28 117.85 30.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.748 -1.115 . . . . 10.0 109.319 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.75 173.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.036 0.446 . . . . 10.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' B' ' 56' ' ' LEU . 32.5 mm-40 -129.98 154.67 81.23 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.68 -30.15 64.94 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.358 2.038 . . . . 10.0 112.575 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -2.07 51.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.18 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -75.7 135.47 40.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' B' ' 25' ' ' ASN . 0.2 OUTLIER -77.19 153.7 33.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.495 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.7 mm -58.54 -40.64 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 10.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.12 -29.06 70.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.198 0.523 . . . . 10.0 110.05 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' B' ' 22' ' ' THR . 11.9 m-20 -66.01 -41.95 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.46 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.416 ' O ' HG13 ' B' ' 30' ' ' ILE . 20.5 t -62.62 -39.19 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.525 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.521 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 93.6 mttt -61.01 -42.48 98.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.379 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.32 94.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.501 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.29 -35.89 82.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.271 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 26' ' ' VAL . 83.6 mt -72.36 -37.09 57.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.238 0.542 . . . . 10.0 109.663 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.25 -44.7 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -4.82 50.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.502 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -99.68 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.582 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.28 -12.96 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.24 71.1 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.532 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -84.98 126.44 67.93 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.603 -0.147 . . . . 10.0 110.603 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.472 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 48.7 Cg_exo -55.2 133.49 58.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.516 2.144 . . . . 10.0 111.564 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.35 -18.56 63.42 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.82 2.347 . . . . 10.0 112.881 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.97 -42.33 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.46 18.52 4.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.348 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.2 mt-30 -99.79 105.04 16.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.913 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -104.53 100.11 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 mt -91.68 116.63 29.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.962 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -113.48 128.85 70.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.045 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -112.53 95.18 5.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.351 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.61 35.53 24.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.641 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.83 -19.51 54.31 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.106 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -86.61 114.68 23.53 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.3 130.74 42.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.1 mt -88.26 116.03 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 10.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 26.2 mt-10 -85.53 132.96 34.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.189 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.521 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 1.5 m-20 -46.64 -36.99 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 28.6 5.75 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.906 -0.664 . . . . 10.0 114.635 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.42 ' O ' HG12 ' B' ' 23' ' ' ILE . 15.5 mmt180 -127.85 165.74 19.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.548 0.674 . . . . 10.0 110.274 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -103.86 168.71 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.763 -0.458 . . . . 10.0 109.763 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -66.56 -33.46 75.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.956 0.407 . . . . 10.0 110.453 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -71.23 -11.62 61.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.662 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.04 -27.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.802 0.335 . . . . 10.0 111.259 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.406 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.2 m-85 -107.94 14.12 25.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.64 28.88 13.16 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.068 0.855 . . . . 10.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' B' ' 59' ' ' TYR . 73.8 mt -78.25 120.27 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.2 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.29 -163.29 0.85 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.154 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -74.76 149.87 39.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.791 -0.364 . . . . 10.0 111.377 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 68.25 23.0 7.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.047 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -81.37 152.25 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.1 m -107.68 126.35 52.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 10.0 111.254 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -113.68 136.12 53.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.187 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -95.48 115.42 27.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.284 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.18 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.245 0.545 . . . . 10.0 110.723 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.04 128.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.187 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.187 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.646 0.26 . . . . 10.0 110.619 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -68.66 -39.93 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.596 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 10.0 110.457 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.23 -43.35 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.355 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.703 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -59.5 -45.8 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.123 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -63.47 -34.32 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.153 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.03 -41.96 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.073 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.56 -26.47 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.513 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.27 -23.31 51.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.43 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 20.1 mmt -88.64 -38.76 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.873 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.83 78.42 15.91 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.01 63.02 8.66 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.476 2.118 . . . . 10.0 112.469 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -169.58 24.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.703 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.83 136.19 21.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.25 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.52 121.19 9.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.725 2.283 . . . . 10.0 112.517 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -56.57 -37.6 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.623 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -64.22 -27.28 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.979 -0.289 . . . . 10.0 111.307 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 67.8 mt -79.43 -34.4 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.72 -42.94 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.35 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 11.7 mt -66.15 -25.15 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.693 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -69.35 -48.09 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.03 -35.8 81.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.178 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.6 mt-30 -85.69 -7.68 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 10.0 110.898 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.35 -55.31 2.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.019 0.437 . . . . 10.0 110.95 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 50.1 p -79.08 -45.22 20.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.21 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 65.87 44.89 2.67 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.946 0.778 . . . . 10.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.2 t -163.76 135.7 4.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.91 -20.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.151 0.501 . . . . 10.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.66 11.42 12.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.127 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.1 mt -129.13 -45.1 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.518 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.407 ' O ' HG13 ' C' ' 493' ' ' ILE . 51.0 m -56.54 -60.23 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -31.29 70.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.235 0.54 . . . . 10.0 110.686 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 16.0 t70 -68.69 -59.34 3.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.731 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.7 -32.9 63.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.041 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.407 HG13 ' O ' ' C' ' 489' ' ' THR . 48.1 mt -61.49 -37.63 78.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.826 0.346 . . . . 10.0 110.49 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.39 -26.77 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.526 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.483 ' HG3' HH22 ' A' ' 72' ' ' ARG . 6.6 mm-40 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.416 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -103.44 144.17 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.659 0.266 . . . . 10.0 111.114 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -131.95 164.83 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.784 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 66' ' ' THR . 53.7 m-85 -120.74 125.72 48.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.733 0.301 . . . . 10.0 110.384 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.35 119.43 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -89.4 137.72 32.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.791 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 p -123.2 165.18 17.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.439 . . . . 10.0 111.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.7 -8.85 58.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.83 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.6 14.38 21.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.12 41.83 96.84 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.101 -0.571 . . . . 10.0 112.855 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -133.04 124.97 28.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.802 0.334 . . . . 10.0 110.964 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -99.21 108.68 21.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.61 139.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 128.56 53.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.5 150.36 46.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.937 0.398 . . . . 10.0 111.217 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -99.6 123.7 44.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.976 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.88 -179.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.865 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' HD11 ' A' ' 56' ' ' LEU . 13.9 mm-40 -142.26 159.13 59.51 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.44 -27.72 69.66 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.328 2.019 . . . . 10.0 112.603 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.79 3.38 45.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.655 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.47 149.27 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 10.0 110.586 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.08 150.47 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.138 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.32 -38.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.772 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.03 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -64.93 -35.34 80.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 10.0 109.888 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 30' ' ' ILE . 72.0 t -63.63 -42.07 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.332 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.27 -41.26 88.45 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.65 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.545 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -64.44 -35.44 80.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.403 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.4 mt -69.75 -38.82 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.081 0.467 . . . . 10.0 109.869 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -72.83 -25.16 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.489 0.661 . . . . 10.0 109.462 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.35 -34.37 63.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -94.33 -49.25 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.02 -45.19 10.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 13.8 26.05 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.302 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -90.81 123.49 64.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.33 141.8 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.728 2.286 . . . . 10.0 112.229 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.6 -23.56 49.29 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.99 2.46 . . . . 10.0 113.006 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.45 -32.54 74.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.197 0.522 . . . . 10.0 110.509 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 12.75 34.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.664 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -105.12 102.98 12.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.51 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -105.67 96.86 6.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.15 116.63 21.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.213 0.53 . . . . 10.0 111.7 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.56 141.48 26.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.889 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -137.97 126.61 23.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.233 -0.655 . . . . 10.0 109.233 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 15.87 7.13 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.64 0.588 . . . . 10.0 112.273 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.53 1.01 53.26 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.776 -0.726 . . . . 10.0 113.536 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -122.54 150.5 42.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.188 0.494 . . . . 10.0 110.372 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 10.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -92.78 154.37 18.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.148 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 30.3 mt-10 -101.35 140.38 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.321 -0.4 . . . . 10.0 109.926 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.37 -40.8 75.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.78 39.82 2.86 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.891 -0.671 . . . . 10.0 113.564 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.5 mmt180 -133.58 165.04 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.411 . . . . 10.0 110.123 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -112.33 169.69 8.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 18' ' ' GLU . 72.2 mt -65.89 -28.79 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 10.0 110.894 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 m -70.97 -25.63 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.141 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -65.7 -27.91 68.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.955 0.407 . . . . 10.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.81 6.67 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.927 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.37 51.78 11.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.585 0.707 . . . . 10.0 110.343 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -92.39 110.15 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.071 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -87.59 -170.39 3.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.795 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -76.78 153.66 34.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.926 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.53 23.61 11.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.163 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 m -83.94 150.53 25.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.019 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.5 m -104.59 116.72 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.97 0.414 . . . . 10.0 111.541 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -99.95 133.91 43.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -91.26 115.65 28.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.703 0.287 . . . . 10.0 110.904 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 tp -93.78 101.53 13.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.13 0.491 . . . . 10.0 109.944 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.2 t -86.31 120.94 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.653 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.42 149.85 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 16.8 ttt180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 120.694 0.283 . . . . 10.0 111.289 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -106.15 130.73 53.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.044 0.449 . . . . 10.0 111.74 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -118.11 160.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.303 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.46 107.82 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.024 0.44 . . . . 10.0 111.354 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -94.58 115.05 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -99.72 116.96 33.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.153 0.502 . . . . 10.0 111.503 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.21 162.4 26.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.846 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.26 -21.5 63.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.288 . . . . 10.0 111.055 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -9.78 59.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.691 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 -10.13 61.36 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.29 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.401 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 86.7 tttt -68.05 135.18 51.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.822 0.344 . . . . 10.0 110.726 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -107.17 114.77 29.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.448 . . . . 10.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.65 127.6 51.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.885 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.11 129.42 36.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.013 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.6 132.46 45.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.169 0.509 . . . . 10.0 111.573 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -91.68 104.27 16.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.517 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HG2' ' B' ' 1' ' ' MET . 25.1 m -134.59 170.23 20.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.619 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -125.92 150.68 69.74 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.95 -35.21 24.49 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.056 2.504 . . . . 10.0 113.915 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.9 3.02 24.15 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.883 0.697 . . . . 10.0 112.883 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.63 149.76 29.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.85 145.12 27.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.884 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.46 -39.02 66.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.832 0.348 . . . . 10.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.76 -38.94 86.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.772 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -66.27 -35.69 81.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.194 0.521 . . . . 10.0 109.656 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.473 ' O ' HG13 ' B' ' 30' ' ' ILE . 45.3 t -64.45 -46.27 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.596 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.57 -36.98 85.58 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.356 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -64.04 -38.53 91.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.46 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HZ3' HG11 ' B' ' 17' ' ' VAL . 28.2 mtmt -67.0 -28.4 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.581 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 26' ' ' VAL . 48.7 mt -71.83 -34.33 51.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.265 0.555 . . . . 10.0 109.803 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 1.5 pt20 -69.4 -27.73 65.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.0 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -43.26 43.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -72.79 -50.45 24.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.676 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.401 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 77.3 mm-40 -91.71 -79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.855 0.36 . . . . 10.0 110.684 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.39 23.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.312 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.82 128.03 29.76 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.5 Cg_exo -57.46 139.13 89.2 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.508 2.139 . . . . 10.0 112.545 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 30.1 Cg_exo -61.27 -21.51 71.96 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.73 2.287 . . . . 10.0 112.497 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -9.5 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.82 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -117.86 16.79 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.63 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -125.54 123.96 40.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.964 0.412 . . . . 10.0 111.716 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -115.0 128.01 56.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.631 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -106.16 125.26 50.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.638 0.256 . . . . 10.0 111.108 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.32 128.23 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.306 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -131.3 124.23 30.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.369 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.81 25.94 15.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.794 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 1.77 83.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.12 -0.562 . . . . 10.0 112.543 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -114.7 143.08 45.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.667 0.27 . . . . 10.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.14 137.7 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.303 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 55.0 mt -89.28 128.24 35.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.328 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.89 145.17 25.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.113 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -68.68 -18.5 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.802 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.69 23.28 31.36 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.445 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -130.67 169.97 14.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.134 0.492 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 29.6 p -108.02 177.28 4.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.377 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 18' ' ' GLU . 17.0 mt -73.56 -36.34 65.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -72.02 -7.72 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.362 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.3 m-20 -70.78 -50.37 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.061 0.458 . . . . 10.0 110.193 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -93.41 15.13 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.09 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 64.12 27.71 14.09 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.384 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.2 mt -69.92 121.89 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 10.0 109.836 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.91 -172.65 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.109 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -66.63 158.58 29.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.589 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 61.1 16.36 7.06 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.62 -0.718 . . . . 10.0 112.652 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -91.36 135.88 33.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.47 117.75 30.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.153 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.0 137.14 41.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -92.38 126.01 37.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.768 0.318 . . . . 10.0 110.182 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.48 113.63 27.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.292 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -98.05 132.6 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.841 -179.623 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.57 -46.5 88.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.868 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.36 93.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.157 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -70.17 -42.06 72.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.41 79.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -58.28 -37.96 76.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.874 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' C' ' 467' ' ' MET . 21.2 tp60 -65.85 -40.11 91.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -34.96 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.993 0.425 . . . . 10.0 110.115 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -63.0 -25.14 68.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.737 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.58 -18.48 48.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.676 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 36.8 mmm -92.69 -45.91 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.342 0.592 . . . . 10.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.428 ' O ' HG13 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.68 88.8 35.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.314 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.98 29.75 0.5 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.19 2.593 . . . . 10.0 112.294 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.21 10.84 4.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.243 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.428 HG13 ' O ' ' C' ' 468' ' ' PHE . 8.9 p -117.13 130.77 24.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 10.0 110.453 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.33 128.19 28.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.331 2.021 . . . . 10.0 112.223 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -56.89 -39.26 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 10.0 111.922 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -65.46 -22.27 66.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.715 0.293 . . . . 10.0 111.453 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.75 -35.82 26.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 19.1 t -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 10.0 109.797 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 79.7 mt -65.57 -16.87 64.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.02 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -80.61 -48.63 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.566 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -23.33 47.19 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.195 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 67.4 mt-30 -79.41 -18.78 51.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 10.0 111.187 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.86 -43.08 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.493 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.6 p -81.82 -45.76 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.711 0.291 . . . . 10.0 111.224 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.43 23.12 11.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.3 t -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.89 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.63 -29.19 46.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.156 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -60.4 -35.9 76.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.611 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.99 -35.6 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.428 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.8 m -60.87 -52.85 63.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.747 0.308 . . . . 10.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -33.76 75.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.797 0.332 . . . . 10.0 110.955 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 18.5 t0 -69.32 -43.51 73.57 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.83 -34.17 67.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.88 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.428 HG13 ' O ' ' C' ' 489' ' ' THR . 87.7 mt -64.64 -46.01 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.757 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.72 66.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 12.0 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.701 -0.227 . . . . 10.0 111.069 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.4 ptt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -91.61 132.01 36.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -120.3 150.81 22.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.68 116.26 31.63 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.7 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -109.43 121.98 63.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -102.99 148.52 25.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.997 0.427 . . . . 10.0 111.39 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -111.94 166.03 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.9 -19.19 65.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.395 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -13.79 59.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.1 15.53 38.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.403 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -102.45 130.91 49.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.632 0.253 . . . . 10.0 110.631 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -105.08 130.43 53.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.641 0.258 . . . . 10.0 110.546 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 mt -112.6 137.11 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.632 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.93 124.16 47.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.368 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -123.93 147.57 47.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 10.0 111.564 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -98.45 110.43 23.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.761 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.1 m -138.52 166.1 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.124 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HD11 ' A' ' 56' ' ' LEU . 35.9 mm-40 -123.55 159.1 56.85 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.47 -29.01 38.13 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.563 2.175 . . . . 10.0 113.466 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 3.4 31.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.215 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.08 136.8 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.991 0.424 . . . . 10.0 110.193 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 149.41 26.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.55 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.39 -37.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.207 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.1 -44.04 91.93 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.944 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -64.39 -35.03 79.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 10.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 30' ' ' ILE . 42.5 t -65.04 -40.72 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.719 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -59.2 -40.97 87.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.051 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.26 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.612 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.89 -36.89 84.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.494 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 26' ' ' VAL . 80.3 mt -68.68 -41.0 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.241 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.43 -33.5 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.785 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.55 -24.0 67.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.476 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -106.77 -45.43 4.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.61 -40.58 13.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.08 39.61 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.592 -0.814 . . . . 10.0 112.754 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.56 122.62 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.7 Cg_exo -55.51 143.39 78.35 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.855 2.37 . . . . 10.0 112.499 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.6 Cg_exo -62.65 -17.77 60.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.965 2.444 . . . . 10.0 112.497 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.76 -34.68 78.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -100.97 3.1 41.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.125 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -87.82 95.81 10.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.827 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -99.32 93.52 5.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 10.0 109.604 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -80.97 125.48 30.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.446 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.27 138.93 50.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.263 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -132.19 118.57 19.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.245 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.46 19.84 10.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.79 -0.641 . . . . 10.0 112.412 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -10.98 55.14 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.699 -0.763 . . . . 10.0 113.027 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -110.39 151.0 28.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.85 0.325 . . . . 10.0 110.425 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.64 150.87 29.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 111.258 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -100.08 138.42 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.72 135.77 33.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.742 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.97 -43.71 77.83 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.5 16.98 11.49 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.867 -0.682 . . . . 10.0 114.03 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -116.15 158.51 23.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.504 0.652 . . . . 10.0 110.741 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.5 p -98.48 178.54 4.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD11 ' O ' ' A' ' 18' ' ' GLU . 90.1 mt -72.4 -36.49 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 109.886 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.6 m -65.86 -22.82 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.691 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -60.53 -31.68 70.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.25 14.9 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.812 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 61.48 28.75 18.01 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.401 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.58 106.42 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 10.0 110.662 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.45 -164.62 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 157.03 38.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.632 0.253 . . . . 10.0 111.4 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.58 29.49 13.08 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.929 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.2 m -92.13 148.09 22.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.945 0.402 . . . . 10.0 110.59 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -112.31 124.39 52.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.507 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.02 143.37 35.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.024 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.472 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 43.3 m80 -104.75 121.51 43.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.509 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.7 tp -100.31 103.64 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.076 0.465 . . . . 10.0 110.378 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.5 t -98.48 136.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.019 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.32 128.28 43.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.466 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.6 ttt180 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.753 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -101.49 130.99 47.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 10.0 111.124 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -118.39 158.71 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.04 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.68 110.65 17.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.154 0.502 . . . . 10.0 111.459 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -102.1 122.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.54 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 90.4 mttt -109.42 127.09 54.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.213 0.53 . . . . 10.0 111.129 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 163.04 15.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.309 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.87 -19.76 53.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -6.67 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 10.0 111.499 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -3.51 63.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.708 . . . . 10.0 112.478 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 81.0 tttt -67.79 137.84 55.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.923 0.392 . . . . 10.0 111.263 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -112.77 103.81 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.991 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.98 129.64 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.915 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -102.58 123.12 45.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -126.62 145.03 50.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.962 0.411 . . . . 10.0 111.778 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.54 114.37 26.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.579 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.1 m -135.43 -175.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' B' ' 56' ' ' LEU . 20.7 mm-40 -139.97 157.49 69.28 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.07 -37.86 69.2 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.32 2.013 . . . . 10.0 112.992 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.94 131.26 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 10.0 110.11 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.415 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.8 OUTLIER -70.48 142.39 51.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.903 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 30.0 mm -54.75 -42.63 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.995 0.426 . . . . 10.0 110.505 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.95 -38.81 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.942 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.505 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -72.42 -34.21 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 22' ' ' THR . 52.5 t -62.38 -47.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.0 ptmt -71.31 -21.91 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.719 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.98 69.6 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 67.6 mttt -67.85 -35.9 79.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -71.03 -32.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 10.0 110.602 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.53 -12.7 55.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.029 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -99.13 -54.54 2.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -91.52 -29.57 16.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.845 0.355 . . . . 10.0 111.096 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.94 9.65 58.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.861 -0.685 . . . . 10.0 112.636 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.43 125.92 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.69 137.44 68.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.51 2.14 . . . . 10.0 112.55 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.8 -28.91 88.38 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.01 2.473 . . . . 10.0 113.024 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.67 -29.17 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.413 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.75 17.87 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.892 0.377 . . . . 10.0 110.36 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -108.22 108.36 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.634 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -114.24 115.13 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.147 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.29 132.48 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.81 133.4 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.57 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.22 123.08 31.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.206 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.29 21.45 10.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.03 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.86 -10.04 64.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -100.91 133.37 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.516 0.198 . . . . 10.0 110.667 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -77.34 129.13 35.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 mt -82.09 133.1 35.26 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.065 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 44.4 mt-10 -83.43 149.65 26.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.713 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -46.02 88.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.18 51.89 4.45 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.774 -0.727 . . . . 10.0 113.675 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 27.5 mmt180 -136.94 170.21 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.952 0.376 . . . . 10.0 110.493 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.22 160.17 16.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.818 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.532 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.1 mt -66.05 -40.19 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.552 0.215 . . . . 10.0 111.545 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.72 -39.52 94.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.873 0.368 . . . . 10.0 111.456 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -98.6 14.89 26.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.394 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 62.66 27.44 16.16 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.0 mt -77.01 119.51 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.0 0.429 . . . . 10.0 110.403 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -130.61 -163.79 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.571 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.94 159.1 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 65.45 4.58 2.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.467 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -84.73 134.06 34.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.731 0.301 . . . . 10.0 110.45 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.619 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.21 137.38 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.666 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -99.22 135.87 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.2 tp -111.18 115.62 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.066 0.46 . . . . 10.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.3 t -111.99 134.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.118 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.837 0.351 . . . . 10.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.83 -47.16 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.477 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.27 99.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 24.7 mtm -65.16 -40.12 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 10.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.68 81.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.418 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.21 -38.42 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.083 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -67.7 -36.38 80.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 36.2 mt -70.44 -35.62 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.925 0.393 . . . . 10.0 110.328 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -63.05 -25.87 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.513 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.67 -17.06 59.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.421 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.472 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 82.4 mmm -98.53 -41.37 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.106 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.44 ' O ' HG13 ' C' ' 471' ' ' VAL . 2.8 m-85 -131.95 86.34 47.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.385 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.38 40.43 0.97 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.683 2.255 . . . . 10.0 112.565 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -141.96 14.21 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 10.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.44 HG13 ' O ' ' C' ' 468' ' ' PHE . 7.4 p -113.37 131.08 23.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 120.58 8.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.789 2.326 . . . . 10.0 112.643 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -53.39 -40.81 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.441 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -66.54 -20.63 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.621 0.248 . . . . 10.0 111.639 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.68 -30.69 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.85 -43.15 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 10.0 109.552 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.13 -23.6 67.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' C' ' 478' ' ' GLN . 2.1 tt0 -71.95 -54.66 9.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.52 -37.98 82.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.646 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -20.81 57.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.729 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -86.32 -17.66 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 10.0 111.062 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.93 -47.74 4.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.382 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 24.4 p -84.18 -44.82 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 10.0 110.541 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.89 18.31 9.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.649 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 66.8 m -145.5 118.04 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.519 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.64 -28.59 23.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.866 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -56.82 -54.36 47.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.166 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.76 -23.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.499 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.7 m -70.19 -54.33 13.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.411 0.523 . . . . 10.0 112.411 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.8 m -60.22 -34.24 73.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.919 0.39 . . . . 10.0 110.503 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.466 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 29.7 t70 -73.86 -38.16 64.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.742 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -54.4 -32.77 57.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.827 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.6 mt -65.13 -44.26 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.82 -24.82 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.749 179.532 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -98.04 125.96 43.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.329 . . . . 10.0 110.856 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -117.2 153.94 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 66' ' ' THR . 98.5 m-85 -117.03 120.14 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.909 0.385 . . . . 10.0 110.58 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 t -109.64 120.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -104.84 134.3 48.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.968 0.414 . . . . 10.0 110.935 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -99.71 165.28 11.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.32 -13.15 57.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 10.0 110.901 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -12.39 59.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.376 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.75 11.47 57.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.571 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 83.0 tttt -95.58 139.7 31.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.586 0.231 . . . . 10.0 110.81 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.71 108.9 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.081 0.467 . . . . 10.0 110.243 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -89.92 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.476 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -118.4 135.13 54.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 10.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.39 141.36 39.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.094 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -98.74 89.45 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.664 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 1' ' ' MET . 6.1 m -121.38 157.49 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.562 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.92 154.26 37.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.19 -32.71 51.32 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.588 2.192 . . . . 10.0 113.387 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.82 0.42 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -84.23 143.97 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.74 148.8 26.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.46 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.63 -39.99 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.176 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 -36.49 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.86 -38.03 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.858 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -41.35 91.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.057 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -57.59 -41.47 81.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.004 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.8 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 10.0 110.235 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -67.47 -32.7 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.346 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.5 -37.15 63.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.41 -35.49 80.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.177 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.147 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -85.9 -53.9 4.83 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.484 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 10.8 mm-40 -85.57 -28.84 24.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.93 57.41 Favored Glycine 0 C--N 1.323 -0.186 0 C-N-CA 120.278 -0.963 . . . . 10.0 111.771 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -100.38 121.09 54.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.13 141.41 94.32 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.425 2.083 . . . . 10.0 111.974 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.56 -23.97 42.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.908 2.405 . . . . 10.0 111.844 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -27.36 66.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.642 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.29 11.0 21.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.45 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.14 92.41 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 10.0 111.309 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -96.32 97.75 9.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.26 126.11 31.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.212 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 ' CG2' ' A' ' 70' ' ' VAL . 1.4 mp -124.84 139.18 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.048 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -132.83 112.03 11.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.195 -0.669 . . . . 10.0 109.195 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.56 17.96 11.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.31 -8.35 48.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.883 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -107.68 138.95 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.648 -0.325 . . . . 10.0 110.661 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 149.4 38.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 10.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -100.03 136.39 40.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.516 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.08 137.31 33.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.233 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.15 -42.0 84.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.275 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.8 47.2 3.75 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.727 -0.67 . . . . 10.0 112.943 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mmt-85 -142.04 159.39 42.33 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 p -102.78 165.3 11.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.41 -30.82 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.154 0.502 . . . . 10.0 110.475 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -23.8 63.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.535 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.46 -27.55 68.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.2 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -107.95 8.25 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 62.15 32.45 17.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.314 -0.857 . . . . 10.0 110.978 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.8 mt -75.6 109.01 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -95.93 -174.33 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.228 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 63.1 pttt -71.84 155.89 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.76 -0.2 . . . . 10.0 110.748 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 68.88 7.53 6.24 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.8 0.688 . . . . 10.0 112.219 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 m -77.76 141.36 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 4.0 m -100.94 117.54 35.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.969 0.414 . . . . 10.0 110.574 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -96.11 143.74 26.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.833 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -99.86 129.44 45.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.659 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.8 tp -112.21 105.39 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.976 0.417 . . . . 10.0 110.425 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.411 ' CG2' HD12 ' A' ' 44' ' ' ILE . 54.7 t -86.64 127.84 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.07 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.44 145.36 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.6 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.0 0.429 . . . . 10.0 111.366 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.595 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 20.9 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -108.76 144.02 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.06 0.457 . . . . 10.0 111.566 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 pt -124.83 162.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.571 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.93 106.33 11.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 10.0 111.516 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.31 123.83 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -108.54 128.57 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.937 0.399 . . . . 10.0 111.156 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -96.86 172.35 7.93 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.69 -8.1 52.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.989 0.423 . . . . 10.0 111.055 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -2.01 53.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.88 0.96 87.3 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.029 -0.605 . . . . 10.0 112.231 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.49 125.37 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.13 129.01 48.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.803 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.63 123.76 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 128.21 36.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.237 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.64 148.96 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 10.0 111.015 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -97.95 121.32 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.549 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.595 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.4 m -142.05 169.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.956 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.565 ' O ' HD12 ' B' ' 56' ' ' LEU . 64.7 mm-40 -128.83 160.75 61.62 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.86 -23.46 50.96 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.106 1.87 . . . . 10.0 112.57 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -91.42 7.57 40.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.588 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -78.48 136.28 37.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.06 147.32 27.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.216 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.589 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 51.2 mm -58.25 -40.85 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.24 -36.2 72.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.66 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.9 t30 -70.3 -36.88 74.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.16 -35.01 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.612 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 6.2 mmmm -61.06 -39.0 88.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.66 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.46 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.486 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 29.8 mttt -65.0 -40.67 95.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.31 -38.48 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 10.0 109.536 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.84 -44.59 89.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.9 -8.74 57.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 10.0 111.638 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -106.29 -48.76 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.501 -0.48 . . . . 10.0 112.102 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -102.64 -13.39 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 23.12 70.93 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.528 -0.844 . . . . 10.0 112.763 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.4 mt -87.28 131.7 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.742 -0.269 . . . . 10.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.438 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 26.8 Cg_exo -59.95 130.68 35.76 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.564 2.176 . . . . 10.0 112.24 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.88 -26.58 82.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.811 2.341 . . . . 10.0 112.737 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -101.43 15.32 29.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.198 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.569 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 66.2 mt-30 -98.88 88.41 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.735 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 47.8 mtt180 -97.3 98.07 9.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.078 0.466 . . . . 10.0 110.222 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.46 126.39 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.677 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.32 127.82 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.311 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -120.94 111.24 17.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.564 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.3 29.87 18.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.976 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.35 -10.53 71.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.608 -0.806 . . . . 10.0 112.725 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.49 132.31 43.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.659 0.266 . . . . 10.0 110.461 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -79.71 130.65 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -88.48 114.96 25.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.914 0.387 . . . . 10.0 111.017 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -81.46 151.72 27.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.879 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.27 -46.48 90.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.24 46.73 3.26 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.156 -0.545 . . . . 10.0 112.478 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 38.1 mmt180 -137.14 160.88 37.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 41.7 p -109.2 170.23 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.245 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.565 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -69.2 -20.85 63.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.609 . . . . 10.0 109.582 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.96 -5.7 59.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.356 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.3 OUTLIER -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.232 179.546 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 44.5 m-85 -105.14 7.1 33.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.709 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.43 61.77 1.94 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.622 0.725 . . . . 10.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.67 118.64 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.041 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.22 178.76 5.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.9 pttp -73.22 160.61 31.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 62.12 25.0 14.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.818 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -92.22 150.55 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.405 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -93.28 119.77 32.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.73 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.99 115.88 30.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.382 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -81.63 132.35 35.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.721 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -112.38 112.14 23.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.557 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 33.8 t -108.98 135.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.251 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -70.44 -41.28 73.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.989 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.47 98.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.374 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 54.2 mtm -67.32 -35.92 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.487 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.08 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.523 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -58.7 -42.01 87.63 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.365 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.284 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 87.4 mt -71.25 -36.7 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.577 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -61.39 -34.01 74.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.716 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.73 -31.21 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.931 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 45.8 mtm -77.67 -35.76 52.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.137 0.494 . . . . 10.0 111.107 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.458 ' O ' HG13 ' C' ' 471' ' ' VAL . 4.4 m-85 -116.69 82.81 13.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.518 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.94 40.18 0.71 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.779 2.319 . . . . 10.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.63 26.09 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.154 0.502 . . . . 10.0 110.619 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.458 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.6 p -128.31 134.9 26.77 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.324 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 31.4 Cg_exo -61.99 119.87 7.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.343 2.029 . . . . 10.0 111.936 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.46 -38.54 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.282 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -65.99 -24.48 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.647 -0.251 . . . . 10.0 111.226 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 36.2 mt -82.07 -35.21 28.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.69 0.281 . . . . 10.0 110.432 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.4 t -63.74 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.88 -26.91 68.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.976 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.81 -50.34 51.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.4 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.39 -35.7 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.462 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -26.47 61.29 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.371 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -85.05 -12.33 53.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.923 0.392 . . . . 10.0 110.942 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.91 -53.52 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.725 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.8 p -77.31 -39.55 47.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.688 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 62.64 24.03 14.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.838 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 t -158.85 129.31 5.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.021 0.439 . . . . 10.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.7 m -62.8 -17.57 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.228 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -79.41 -13.31 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.811 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . 0.479 HG22 ' ND2' ' C' ' 492' ' ' ASN . 0.7 OUTLIER -114.84 -39.38 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.739 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 15.6 m -55.25 -64.95 0.68 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.434 . . . . 10.0 111.857 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.31 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.829 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 32.8 t70 -64.4 -49.71 70.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 10.0 110.396 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . 0.479 ' ND2' HG22 ' C' ' 488' ' ' ILE . 11.1 m-80 -61.81 -38.89 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.642 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.23 -41.44 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.225 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -30.64 71.68 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.046 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 38.2 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.376 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.803 0.335 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 16' ' ' GLU . 59.8 mm-40 -98.35 136.53 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.61 161.76 38.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.625 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -114.05 134.47 54.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t -111.68 113.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.856 0.36 . . . . 10.0 110.189 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' HE3' ' C' ' 467' ' ' MET . 15.3 tttt -90.79 127.48 36.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.717 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -112.5 169.92 8.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.956 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.37 -12.79 60.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.18 0.514 . . . . 10.0 110.743 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -8.38 56.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.378 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.75 6.83 82.35 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.681 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -88.8 104.86 17.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.811 0.338 . . . . 10.0 110.532 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -82.24 104.04 12.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 10.0 110.139 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.66 145.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 128.42 56.3 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.43 148.54 52.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.924 0.392 . . . . 10.0 111.389 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB2' ' NE2' ' A' ' 2' ' ' GLN . 22.5 tt0 -104.2 112.32 25.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.848 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.46 -169.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.652 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.517 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.6 mm-40 -143.33 156.15 60.94 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.27 -35.1 62.58 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 10.0 112.743 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -11.11 60.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.197 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.18 152.41 44.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.961 0.41 . . . . 10.0 110.516 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.42 26.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.102 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.87 -38.98 54.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.965 0.412 . . . . 10.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 21.4 tt0 -57.92 -38.22 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.485 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -74.47 -33.04 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.087 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 22' ' ' THR . 99.6 t -64.06 -45.18 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.225 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 52' ' ' ASP . 19.7 mtmt -63.38 -34.09 76.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.516 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.886 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.22 -36.29 83.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.07 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 26' ' ' VAL . 89.4 mt -65.29 -41.09 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.17 0.51 . . . . 10.0 109.771 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.97 -30.0 70.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.46 -24.25 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.188 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.45 -46.2 3.9 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -81.74 -35.75 29.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.72 -5.99 79.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.076 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.7 119.7 78.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.33 -0.248 . . . . 10.0 110.33 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.74 143.88 78.57 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.397 2.064 . . . . 10.0 112.254 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.17 -14.39 23.72 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.826 2.351 . . . . 10.0 112.665 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -43.29 99.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -94.5 4.62 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.383 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -88.47 105.82 17.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -107.56 101.35 10.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.44 133.6 33.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.824 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.18 139.2 51.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.16 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.94 120.85 20.85 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.01 16.93 10.28 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.749 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.0 5.53 53.24 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.636 -0.792 . . . . 10.0 113.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -125.57 144.84 50.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.196 0.498 . . . . 10.0 110.691 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.84 145.96 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.607 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.14 134.23 44.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.55 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.9 mt-10 -89.62 136.29 33.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.724 0.297 . . . . 10.0 110.676 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 24' ' ' GLU . 1.3 m-20 -58.01 -27.87 63.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.36 -2.58 90.25 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.002 -0.618 . . . . 10.0 113.332 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 33.1 mmt180 -103.0 160.89 14.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.173 0.487 . . . . 10.0 110.234 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 55.3 p -103.8 170.12 8.11 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.895 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 ' O ' ' A' ' 18' ' ' GLU . 61.5 mt -65.17 -31.22 72.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.889 0.376 . . . . 10.0 110.585 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.87 -22.32 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.926 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.8 m-20 -65.48 -33.72 76.6 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.34 11.37 38.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.35 38.98 25.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.015 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.5 mt -83.61 121.17 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.366 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -111.02 -169.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.744 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -70.25 154.21 42.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.909 0.385 . . . . 10.0 111.451 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.49 29.24 13.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.651 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -101.5 147.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -104.14 128.12 51.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.192 0.52 . . . . 10.0 111.575 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.52 132.92 51.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.219 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -91.14 118.61 30.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.914 0.388 . . . . 10.0 110.758 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -101.72 103.92 14.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.049 0.452 . . . . 10.0 110.15 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.4 t -91.48 129.16 42.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.316 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -96.96 142.13 29.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.681 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 120.942 0.401 . . . . 10.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -123.5 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 10.0 110.896 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.7 pt -122.29 168.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.329 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.04 114.1 21.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.42 118.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -102.72 129.9 49.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.945 0.402 . . . . 10.0 111.18 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.5 p -94.92 163.48 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -13.44 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -9.99 55.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.231 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.95 20.26 26.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 10.0 113.373 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -102.89 138.81 39.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.079 0.439 . . . . 10.0 110.315 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -112.38 115.51 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 10.0 110.174 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mt -98.81 133.11 42.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.16 122.26 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.71 151.36 51.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.204 0.526 . . . . 10.0 112.253 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 130.82 35.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.508 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -153.46 167.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 10.0 110.695 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.1 mm-40 -142.62 155.44 63.54 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.091 -1.077 . . . . 10.0 108.091 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 -24.82 26.72 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.364 2.043 . . . . 10.0 113.226 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 4.24 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 10.0 112.071 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -85.33 142.12 29.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 10.0 110.393 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.1 m -89.12 144.69 25.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.582 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 54' ' ' ARG . 52.2 mm -54.13 -39.0 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 120.916 0.388 . . . . 10.0 111.277 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.52 -43.91 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.673 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.81 -36.91 84.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.87 -44.85 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.881 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -65.92 -34.05 77.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.409 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.32 89.04 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.131 0.491 . . . . 10.0 109.793 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.31 -40.11 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.65 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.9 mt -67.84 -33.12 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.054 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.63 -30.81 71.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.463 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.85 -30.44 50.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.087 0.47 . . . . 10.0 110.57 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.53 -50.42 9.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 10.0 112.198 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -97.41 -43.25 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.9 26.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.379 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.4 121.04 84.34 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.483 0.183 . . . . 10.0 110.775 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.95 150.97 60.55 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.737 2.291 . . . . 10.0 112.161 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.45 -17.53 54.19 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.155 2.57 . . . . 10.0 112.991 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.43 -27.64 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.045 0.45 . . . . 10.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -101.44 12.29 37.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.361 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -112.19 123.17 49.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.884 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -133.14 107.84 8.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -95.77 133.8 39.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 10.0 112.012 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.98 123.28 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.952 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' B' ' 61' ' ' ILE . 65.4 t80 -111.81 113.46 25.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.157 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.46 32.21 20.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.945 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 8.34 69.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.839 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -114.75 116.0 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.762 -0.257 . . . . 10.0 110.484 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.26 126.58 29.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.38 127.49 34.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.915 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 83.7 mt-10 -84.88 143.43 29.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.58 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.52 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.28 20.41 33.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.613 -0.804 . . . . 10.0 114.084 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.459 ' O ' HG12 ' B' ' 23' ' ' ILE . 14.9 mmt180 -120.02 165.7 14.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.731 0.766 . . . . 10.0 110.885 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -108.01 -177.35 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.128 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 18' ' ' GLU . 36.4 mt -68.34 -42.18 79.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.74 0.305 . . . . 10.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -63.86 -26.54 68.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 10.0 111.359 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.09 -37.19 79.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.123 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.25 11.89 30.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.61 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 63.07 30.1 16.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.533 0.52 . . . . 10.0 111.156 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' B' ' 45' ' ' PHE . 55.9 mt -74.61 118.44 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.475 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -128.47 178.92 5.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.297 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -68.0 172.03 6.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.736 0.303 . . . . 10.0 111.055 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 62.67 19.25 11.23 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.236 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -124.62 140.34 53.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.61 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -98.51 141.28 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.684 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.18 139.01 48.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -98.0 127.6 44.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.92 115.77 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 10.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -97.95 125.84 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.693 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.57 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.6 mt . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.588 0.232 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.17 -46.38 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 26.6 mtm -64.77 -43.2 94.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 10.0 110.352 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.96 87.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 10.0 110.678 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -60.58 -39.19 87.15 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -66.02 -40.69 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.117 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.37 -36.56 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.338 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -63.26 -22.4 66.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.156 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.68 -23.83 49.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.313 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.537 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.0 mmm -91.96 -39.91 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.982 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.569 ' O ' HG13 ' C' ' 471' ' ' VAL . 57.7 m-85 -124.73 92.3 48.04 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.6 6.18 5.62 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.702 2.268 . . . . 10.0 111.654 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -108.28 10.69 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.288 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.569 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -115.09 132.04 23.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.433 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 32.3 Cg_exo -60.23 125.2 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.459 2.106 . . . . 10.0 112.489 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.68 -40.01 62.48 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.287 0.635 . . . . 10.0 112.096 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 35.9 p-80 -65.05 -30.76 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.722 -0.217 . . . . 10.0 111.439 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.39 -34.46 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.9 t -64.81 -45.22 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 14.9 mt -64.78 -26.23 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.47 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . 0.428 ' HA ' ' NE2' ' C' ' 481' ' ' GLN . 0.0 OUTLIER -71.26 -45.97 61.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.83 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.478 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -25.99 56.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.31 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 47.7 mt-30 -76.26 -12.65 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.198 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . 0.438 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 3.2 mm? -111.61 -48.44 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.71 -0.223 . . . . 10.0 111.422 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 8.2 p -75.18 -39.46 60.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 10.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.438 ' HD2' ' O ' ' C' ' 482' ' ' LEU . 2.1 mpt_? 63.07 24.37 14.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.101 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t -170.9 132.9 0.89 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.765 0.317 . . . . 10.0 111.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -61.79 -21.36 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.549 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.26 -21.66 66.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.065 0.46 . . . . 10.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -40.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.287 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 9.7 m -52.7 -56.42 15.66 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 -40.75 75.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.356 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.37 -37.38 60.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 10.0 110.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -55.56 -40.04 71.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.15 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.31 -43.88 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.998 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.264 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 10.0 111.151 179.518 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.878 0.371 . . . . 10.0 110.148 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.49 133.79 35.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.392 . . . . 10.0 110.624 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -120.31 154.15 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -113.12 115.21 27.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.608 -0.269 . . . . 10.0 110.936 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.91 118.61 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -101.4 133.61 45.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.734 0.302 . . . . 10.0 110.884 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -102.94 166.91 10.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.001 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' C' ' 463' ' ' GLN . 11.4 mt -67.08 -17.66 64.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 10.0 110.871 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.72 2.51 37.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.04 37.85 48.97 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.948 -0.644 . . . . 10.0 111.519 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 87.1 tttt -115.63 132.38 56.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -104.64 108.61 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 10.0 110.326 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.61 129.74 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.604 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.74 126.67 52.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.16 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -126.19 148.13 49.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.836 0.351 . . . . 10.0 111.012 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -101.84 97.39 7.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.025 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.4 m -128.85 179.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.007 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' HD11 ' A' ' 56' ' ' LEU . 9.3 mm-40 -129.83 154.07 81.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.93 -16.29 25.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.849 2.366 . . . . 10.0 113.719 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.54 0.95 50.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -84.1 155.83 22.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.372 0.605 . . . . 10.0 111.801 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.35 146.19 24.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.261 -0.882 . . . . 10.0 110.446 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.05 -41.05 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.923 0.392 . . . . 10.0 110.669 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.45 -31.65 70.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.3 -34.15 59.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 10.0 110.285 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.36 -41.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.623 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 1.9 mmmm -60.74 -38.45 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.417 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.42 93.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.388 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -65.47 -37.32 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.847 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.12 -35.4 71.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.143 0.497 . . . . 10.0 109.899 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.64 -33.68 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.813 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -83.37 4.79 25.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.814 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -115.62 -51.19 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.467 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 60.5 mm-40 -102.39 -16.38 16.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.788 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.24 5.5 82.67 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.629 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -82.9 124.38 76.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 122.084 0.154 . . . . 10.0 110.635 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.68 147.26 92.77 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.73 2.287 . . . . 10.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.01 -23.83 74.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.726 2.284 . . . . 10.0 112.414 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -23.08 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -103.73 5.98 36.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.079 0.466 . . . . 10.0 110.908 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 77.4 mt-30 -101.73 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.401 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CZ ' HD21 ' C' ' 494' ' ' LEU . 2.4 ttt180 -120.44 92.53 3.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -76.89 120.49 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.971 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.98 135.7 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.776 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.3 t80 -138.65 131.4 29.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 25.24 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.444 0.465 . . . . 10.0 111.806 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 22.09 59.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -140.76 158.1 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.637 -0.331 . . . . 10.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.22 137.87 31.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.814 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 45' ' ' PHE . 32.3 mt -91.76 152.57 20.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.43 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -96.92 150.52 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.966 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.8 -42.4 81.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.034 0.445 . . . . 10.0 110.546 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.73 54.6 4.97 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.749 -0.739 . . . . 10.0 112.191 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -145.37 157.3 44.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.75 156.37 18.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.73 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 18' ' ' GLU . 83.7 mt -61.21 -27.36 68.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.111 0.481 . . . . 10.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -26.56 64.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.788 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -69.55 -25.05 63.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.907 0.384 . . . . 10.0 111.216 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -105.56 5.97 31.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 10.0 110.197 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 t30 56.06 44.96 24.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -83.93 113.56 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.093 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.52 -169.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.366 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.05 154.57 41.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.685 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 64.59 24.76 13.07 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.454 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 140.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 124.56 49.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.772 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.14 143.88 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.092 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -99.35 125.43 45.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.0 tp -96.46 92.39 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.083 0.468 . . . . 10.0 110.525 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.2 t -78.79 122.81 34.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.357 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.88 131.43 36.42 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 3.3 ttt180 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 10.0 110.839 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -108.41 143.04 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.094 0.473 . . . . 10.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -128.47 165.49 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.302 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 49.2 m-85 -119.98 120.24 35.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 10.0 111.001 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.31 118.49 52.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -103.01 126.98 50.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.975 0.416 . . . . 10.0 111.326 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -92.31 169.07 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.667 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.57 -22.35 66.28 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.833 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.18 4.96 32.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.856 0.36 . . . . 10.0 111.466 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.43 44.65 32.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.335 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.549 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 65.6 tttt -115.67 120.78 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -95.82 105.35 17.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.023 0.439 . . . . 10.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.43 132.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.288 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.8 114.12 26.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.052 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.4 148.19 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.045 0.45 . . . . 10.0 111.909 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.8 126.81 41.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.653 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 m -142.36 -177.65 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.773 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.441 ' O ' HD12 ' B' ' 56' ' ' LEU . 14.9 mm-40 -147.26 162.81 31.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.25 -33.51 75.77 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.577 2.185 . . . . 10.0 112.286 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 13.49 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.081 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -85.79 134.31 33.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 147.05 26.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.662 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 48.4 mm -58.31 -39.89 75.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 10.0 110.369 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.0 -33.96 74.06 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.679 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.2 t30 -69.89 -37.49 76.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.883 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.5 -36.87 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.038 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 5.2 mmmm -58.27 -37.29 74.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.298 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.38 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 74.6 mttt -65.19 -42.26 93.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.82 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.81 -34.47 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.613 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tt0 -68.85 -32.86 72.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.46 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.62 -27.3 63.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 10.0 110.29 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -87.27 -63.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.908 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -85.44 -36.52 20.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.57 15.03 48.28 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.82 128.07 57.63 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.686 -0.257 . . . . 10.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.6 Cg_exo -54.46 139.82 74.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.925 2.417 . . . . 10.0 112.46 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.5 Cg_exo -60.22 -20.86 64.01 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.875 2.383 . . . . 10.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -18.74 61.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -108.41 10.18 27.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.13 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -102.6 113.52 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.267 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -115.32 100.37 8.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 mt -88.66 123.0 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.602 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.5 mt -121.27 127.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.315 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -119.48 115.04 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.635 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.7 27.7 14.73 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.66 -6.94 65.3 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 120.695 -0.764 . . . . 10.0 112.99 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -103.32 125.74 50.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.835 0.318 . . . . 10.0 110.66 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.91 122.62 25.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.32 139.77 50.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.121 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -94.04 135.35 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.891 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.41 -25.66 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.85 30.67 6.41 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.925 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -134.26 166.61 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 10.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.4 p -109.7 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.951 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.441 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.4 mt -67.27 -36.89 82.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.562 0.22 . . . . 10.0 111.263 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -64.53 -24.91 67.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.471 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -65.49 -26.1 67.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.96 0.409 . . . . 10.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -108.18 5.97 26.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.376 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 61.66 33.91 17.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.496 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.51 115.24 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.62 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -99.19 -171.25 2.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.965 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -72.06 162.65 29.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.585 0.231 . . . . 10.0 110.88 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 63.38 20.98 12.57 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.922 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.3 m -83.26 144.63 29.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.623 0.249 . . . . 10.0 110.364 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 24.4 m -105.63 120.51 41.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.46 . . . . 10.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.69 135.15 48.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.14 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -93.09 120.01 32.93 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.75 106.85 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.039 0.447 . . . . 10.0 110.973 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 130.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.474 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.489 -179.746 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.714 0.292 . . . . 10.0 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -67.0 -43.49 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.378 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.9 88.48 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.63 -38.79 77.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.63 95.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.653 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -56.29 -38.56 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.719 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 25.5 tp60 -63.13 -37.12 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.03 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.5 -36.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.368 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -65.11 -22.28 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.621 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.66 -12.73 60.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.897 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 38.7 mtm -107.19 -47.89 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.439 ' O ' HG13 ' C' ' 471' ' ' VAL . 4.1 m-85 -117.33 100.92 53.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.01 -0.5 9.61 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.583 2.189 . . . . 10.0 112.733 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.95 31.46 3.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.729 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.439 HG13 ' O ' ' C' ' 468' ' ' PHE . 12.5 p -133.77 132.37 21.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.3 126.45 20.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.389 2.06 . . . . 10.0 111.925 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.93 -38.52 72.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.939 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.44 -29.81 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.483 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.55 -35.31 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 10.0 110.022 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.37 -40.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.409 0.623 . . . . 10.0 109.343 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.39 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.988 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -49.96 16.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.441 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.44 -36.27 83.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -26.82 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -91.15 -2.12 57.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.21 -51.34 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.295 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 62.0 p -89.68 -39.17 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.707 0.289 . . . . 10.0 111.144 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 62.82 32.1 16.08 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.604 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 26.0 t -150.94 115.51 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.315 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -60.77 -28.89 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.769 0.319 . . . . 10.0 111.457 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.52 -15.09 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.722 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 48.1 mt -107.94 -40.01 4.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.171 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -56.23 -58.06 9.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -38.76 82.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.343 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.503 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 16.1 t0 -67.42 -48.27 67.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 37.3 t30 -52.33 -44.31 65.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.953 -1.022 . . . . 10.0 110.472 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.58 -43.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.28 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -64.41 -27.72 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.314 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.683 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -116.05 138.99 50.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.262 -0.274 . . . . 10.0 110.262 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' THR . 36.6 pt -127.03 159.69 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.2 m-85 -114.42 120.63 40.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.935 0.398 . . . . 10.0 110.513 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.04 126.32 52.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.189 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.81 121.22 41.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.197 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -100.3 162.21 13.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.237 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -70.02 -13.77 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.874 0.369 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -10.37 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.929 0.395 . . . . 10.0 111.114 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.74 7.67 61.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.805 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -91.97 128.59 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.682 0.277 . . . . 10.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -102.69 130.81 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -119.51 130.19 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.871 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 2.8 m -96.28 105.96 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.28 140.53 30.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.662 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.23 107.0 18.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.105 -1.072 . . . . 10.0 108.105 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.65 -178.45 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.874 0.369 . . . . 10.0 111.137 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.5 mm-40 -143.3 158.61 57.64 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.71 -35.64 48.36 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.473 2.115 . . . . 10.0 113.11 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.6 1.0 24.12 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.64 132.89 36.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -82.01 145.4 30.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.291 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.49 -34.98 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.888 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.97 -31.28 71.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.773 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.84 -37.11 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 10.0 109.981 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 22' ' ' THR . 58.4 t -59.33 -45.94 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.323 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -68.76 -24.65 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.563 . . . . 10.0 109.774 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.83 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.291 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.65 -36.98 85.26 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -70.04 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.539 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 39.1 tt0 -68.3 -30.13 69.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.088 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.07 -37.45 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.135 0.493 . . . . 10.0 110.87 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.03 -70.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.856 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.49 -36.7 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.6 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.05 32.86 8.1 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.517 -0.849 . . . . 10.0 112.134 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.0 mt -100.39 126.73 35.03 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.16 141.26 80.54 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.898 2.398 . . . . 10.0 112.076 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.06 -28.91 65.74 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 10.0 112.276 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.24 -20.92 64.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.151 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.92 12.66 28.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.061 0.458 . . . . 10.0 110.622 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -109.07 103.83 12.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.504 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -103.63 102.79 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.99 126.29 34.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.388 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.515 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -137.98 124.72 21.05 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 21.1 11.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.955 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 1.41 64.01 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.145 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -120.28 151.21 39.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.64 -0.329 . . . . 10.0 110.752 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 151.82 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 10.0 110.742 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.56 146.56 27.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.662 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -93.81 144.11 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.585 -0.279 . . . . 10.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.83 -47.13 85.9 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.53 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.194 -0.526 . . . . 10.0 113.01 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -140.15 153.73 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -101.63 167.39 10.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.807 0.337 . . . . 10.0 110.37 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' O ' ' A' ' 18' ' ' GLU . 56.3 mt -66.12 -31.56 72.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.279 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -21.76 64.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.255 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 10.0 110.934 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -104.29 12.26 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.426 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 62.91 29.43 16.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.213 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.86 125.13 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.981 0.42 . . . . 10.0 110.231 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.87 -166.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.538 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -72.43 148.58 45.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.94 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.76 22.95 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.214 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -82.41 142.4 31.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -97.65 120.79 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.135 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -105.5 130.65 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 38.6 m80 -92.24 125.06 36.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.964 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 tp -103.46 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.945 0.402 . . . . 10.0 110.35 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.26 131.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -89.03 148.0 23.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.716 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -115.39 138.39 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.927 0.394 . . . . 10.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -124.28 161.9 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.139 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.32 118.56 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.53 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.33 124.0 64.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -105.49 131.62 52.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.007 0.432 . . . . 10.0 110.943 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -88.9 165.19 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.598 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.35 -21.84 65.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.866 0.365 . . . . 10.0 110.968 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.6 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.628 . . . . 10.0 111.446 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.47 4.13 34.94 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.429 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 87.1 tttt -84.68 142.91 29.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -117.77 114.12 22.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.764 0.316 . . . . 10.0 110.307 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.12 135.47 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.109 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.44 130.33 38.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 10.0 109.988 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -124.8 145.06 49.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.05 0.453 . . . . 10.0 111.09 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -97.69 110.12 22.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.649 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.87 177.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.903 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -139.05 160.46 62.54 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -35.32 90.07 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.578 2.185 . . . . 10.0 113.312 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 7.42 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.176 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.39 163.04 28.25 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.082 0.468 . . . . 10.0 110.599 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.422 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -107.99 143.69 36.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.083 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.4 -42.43 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.595 0.236 . . . . 10.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.99 -39.6 82.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.695 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -65.55 -37.18 85.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.301 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.422 HG21 ' O ' ' B' ' 22' ' ' THR . 47.3 t -65.06 -39.42 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.044 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 1.9 mmmm -60.47 -39.58 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.892 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.52 87.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.638 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.93 -34.01 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.228 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -71.71 -36.24 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.77 -28.73 64.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.041 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.71 -25.56 61.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.936 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -102.15 -60.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 33.0 mm-40 -77.88 -38.09 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 10.0 111.788 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.17 39.38 6.08 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.133 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -108.85 127.7 26.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 110.408 -0.219 . . . . 10.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.79 136.57 59.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.863 2.376 . . . . 10.0 112.275 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.83 -22.81 69.86 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.569 2.179 . . . . 10.0 112.437 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.63 -21.66 55.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.707 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -98.72 -8.62 25.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.96 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.462 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 73.5 mt-30 -86.33 111.47 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 10.0 112.074 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -111.78 92.17 3.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -80.46 118.54 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.177 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -118.14 126.96 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.105 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -117.76 110.09 17.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.644 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.32 30.01 19.47 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.248 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.33 -17.18 59.46 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.186 -0.53 . . . . 10.0 112.625 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -90.41 125.0 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 10.0 110.847 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.97 136.05 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.48 129.54 41.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.347 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.7 mt-10 -89.07 145.49 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.3 -41.13 83.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.29 42.35 3.08 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.887 -0.673 . . . . 10.0 113.347 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.419 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.2 mmt180 -137.15 159.97 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.2 p -101.95 168.71 9.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.2 mt -67.56 -32.72 73.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 10.0 110.672 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.87 -13.32 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.261 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.2 m-20 -67.54 -31.66 71.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.854 0.359 . . . . 10.0 111.112 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -104.93 13.7 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.142 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.1 t30 62.68 30.39 16.88 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.831 0.707 . . . . 10.0 110.776 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.47 123.22 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.75 -172.05 1.99 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -69.85 163.71 25.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.459 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 54.49 55.68 7.75 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.2 m -121.75 140.19 52.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.458 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -102.74 131.28 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.935 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.45 156.68 26.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.318 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -115.3 136.62 52.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.21 106.72 16.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.058 0.456 . . . . 10.0 111.138 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.97 124.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.471 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.815 -179.44 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.97 0.414 . . . . 10.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -59.79 -53.7 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.566 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.6 80.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 9.8 ttm -65.64 -38.44 89.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.19 81.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.17 -35.27 76.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.286 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' C' ' 467' ' ' MET . 20.1 tp60 -62.08 -43.21 99.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.94 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.51 -36.34 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.407 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.36 -28.08 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.512 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -74.67 -30.28 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.58 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.497 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 24.7 mmm -79.96 -43.42 22.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.812 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.456 ' O ' HG13 ' C' ' 471' ' ' VAL . 43.0 m-85 -123.2 96.55 44.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.15 12.79 2.84 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.38 2.054 . . . . 10.0 112.403 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.52 19.16 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.423 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.456 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.6 p -123.57 135.33 26.01 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 36.9 Cg_exo -62.9 127.8 21.39 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.42 2.08 . . . . 10.0 112.345 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.01 -43.79 63.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.488 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -63.8 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.33 -34.6 65.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.2 -43.41 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.52 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 72.3 mt -62.24 -25.72 67.98 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.779 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -72.72 -47.61 45.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.13 -35.49 80.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.497 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.31 -19.92 62.34 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.297 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 54.8 mt-30 -86.79 -21.88 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 10.0 110.404 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.32 -55.17 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.683 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.7 p -83.63 -44.98 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.204 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 66.96 23.15 9.91 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.724 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 m -147.43 124.7 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.55 -23.67 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.009 0.433 . . . . 10.0 111.469 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -67.02 -16.06 64.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.131 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 2.8 mt -111.07 -39.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.663 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -58.37 -52.92 63.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.263 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 m -59.7 -39.51 84.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.942 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.07 -33.98 68.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.913 0.387 . . . . 10.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.56 -36.61 71.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.48 -40.25 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.24 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.64 -42.58 82.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.346 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.927 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -113.48 141.53 47.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 10.0 111.379 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -125.93 160.08 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.755 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -117.29 104.05 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.974 0.416 . . . . 10.0 110.994 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.25 134.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.755 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.86 135.83 53.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.922 0.392 . . . . 10.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.0 164.74 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.255 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.41 -21.31 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.909 0.385 . . . . 10.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -5.95 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.246 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.91 1.75 70.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 86.8 tttt -75.0 138.65 42.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 10.0 111.022 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -108.89 126.29 52.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.953 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -116.47 119.2 61.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.987 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.04 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.57 140.45 26.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 10.0 110.969 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.08 120.68 27.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.849 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.62 176.24 8.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -138.49 162.13 55.02 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.91 -28.47 77.73 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.388 2.059 . . . . 10.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 5.98 47.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.761 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -74.21 143.64 45.07 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.876 0.37 . . . . 10.0 110.223 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.72 ' HB ' ' OE1' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -91.27 149.08 21.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.887 -179.46 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.0 -40.38 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.477 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.72 ' OE1' ' HB ' ' A' ' 22' ' ' THR . 8.9 pm0 -64.82 -32.15 73.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 65.2 t30 -69.01 -38.04 79.02 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 22' ' ' THR . 57.6 t -63.62 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -59.48 -42.7 92.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.582 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.49 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.827 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.52 -40.85 92.96 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.02 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -73.95 -37.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 10.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.34 -37.1 84.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.75 -24.15 31.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 10.0 111.293 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -82.94 -49.58 9.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.637 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 74.7 mm-40 -97.3 -38.81 9.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.672 0.249 . . . . 10.0 111.672 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 13.4 22.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.5 -0.857 . . . . 10.0 112.349 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.91 122.94 66.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.42 137.74 82.93 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.878 2.385 . . . . 10.0 112.364 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.68 -25.91 80.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.076 2.517 . . . . 10.0 112.291 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.32 -22.27 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.504 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -109.17 10.05 25.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.079 0.466 . . . . 10.0 110.433 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -98.53 97.43 8.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -99.28 95.31 6.97 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.68 121.26 27.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.65 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 HG22 ' CE2' ' C' ' 468' ' ' PHE . 3.5 mp -132.53 127.3 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -122.57 115.6 22.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.313 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.42 37.12 27.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 10.0 112.089 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -14.64 63.78 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.93 -0.652 . . . . 10.0 113.923 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -101.88 127.78 48.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.104 0.452 . . . . 10.0 111.037 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -81.49 142.66 32.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.56 116.69 27.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 138.63 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.514 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.78 -8.76 54.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.71 11.51 61.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.731 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -124.23 178.01 5.56 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.513 -0.404 . . . . 10.0 110.896 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.0 p -115.95 175.83 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.48 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.98 -28.14 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.875 0.369 . . . . 10.0 110.806 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.8 m -71.22 -22.71 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.29 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.02 -26.2 63.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.033 0.444 . . . . 10.0 111.301 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -105.25 8.14 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.942 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.84 37.5 18.55 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.65 0.594 . . . . 10.0 110.889 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.08 116.7 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -101.38 -160.44 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.803 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -80.54 155.79 26.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.47 16.76 10.02 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.343 0.402 . . . . 10.0 111.878 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 m -85.81 150.49 24.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.686 0.279 . . . . 10.0 110.499 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -97.33 136.32 37.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.51 106.36 11.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.462 ' CB ' ' HB3' ' C' ' 467' ' ' MET . 43.9 m80 -83.56 130.11 34.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.054 0.454 . . . . 10.0 110.967 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.3 tp -109.33 125.96 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.539 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.39 136.73 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.618 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.23 145.76 27.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.302 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.526 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.899 0.381 . . . . 10.0 110.606 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -105.19 134.92 47.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.124 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.05 160.59 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.953 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -121.95 126.53 48.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.521 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -111.13 119.51 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -101.74 119.66 39.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 10.0 110.795 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.5 p -85.88 170.94 11.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.737 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.7 mt -74.42 -10.09 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.503 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 0.29 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 36.75 26.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.1 -0.572 . . . . 10.0 111.985 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -122.45 133.43 54.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.99 140.17 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.565 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -103.58 127.16 51.05 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -130.7 146.02 52.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.872 0.368 . . . . 10.0 111.644 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -96.27 117.39 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.114 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 m -139.21 173.94 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.939 0.4 . . . . 10.0 110.904 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -131.23 158.8 74.21 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.534 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.93 -33.14 81.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.361 2.041 . . . . 10.0 112.673 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -91.44 19.82 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 112.053 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.95 140.56 29.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.7 OUTLIER -82.49 148.38 28.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.178 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.12 -36.95 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.223 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.11 -40.56 90.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.976 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -66.95 -36.0 81.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.871 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.412 HG21 ' O ' ' B' ' 22' ' ' THR . 87.4 t -62.98 -42.06 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.96 -37.77 85.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.816 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.27 73.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.755 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 97.1 mttt -72.62 -35.79 67.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.863 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.04 -39.11 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 54.7 tt0 -63.03 -32.71 74.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -73.46 -25.81 60.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.822 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -97.07 -44.07 7.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.61 0.596 . . . . 10.0 112.61 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.6 -26.45 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.72 9.44 82.99 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.178 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.5 124.7 60.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 122.084 0.154 . . . . 10.0 110.683 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -54.75 142.13 74.45 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.003 2.468 . . . . 10.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 38.5 Cg_exo -59.93 -27.97 86.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.957 2.438 . . . . 10.0 112.762 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -65.81 -18.15 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -110.49 8.99 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.72 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.67 104.66 16.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.37 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -99.37 99.57 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.23 119.76 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.77 127.26 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.184 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -119.81 108.43 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.464 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.16 32.73 22.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.366 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.97 -19.45 54.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.875 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -85.26 130.98 34.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.607 0.242 . . . . 10.0 110.651 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.32 132.01 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.55 139.25 30.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.841 0.353 . . . . 10.0 111.782 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -95.81 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.56 -42.22 82.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 46.81 3.68 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.91 -0.662 . . . . 10.0 113.21 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -140.11 170.24 16.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.65 160.44 17.24 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.7 -37.02 84.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.132 0.492 . . . . 10.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -68.71 -26.27 65.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.333 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -25.51 66.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.478 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -103.1 17.45 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 61.11 31.88 19.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.464 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -88.96 136.07 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.79 0.329 . . . . 10.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.12 -168.92 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -70.71 162.92 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 57.4 mt-10 67.98 7.37 5.76 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.611 0.569 . . . . 10.0 111.633 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.3 m -100.42 133.21 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.886 0.374 . . . . 10.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -100.52 134.93 42.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.091 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -109.14 146.76 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.803 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -98.77 133.26 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.5 tp -116.5 113.61 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.12 0.486 . . . . 10.0 111.138 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -103.46 140.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.809 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.748 0.308 . . . . 10.0 110.453 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.014 0.435 . . . . 10.0 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -60.24 -47.09 87.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.03 -37.58 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.59 -42.74 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.723 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.08 86.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.717 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -57.13 -39.0 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.738 -0.664 . . . . 10.0 111.173 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -71.73 -39.89 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.8 -31.49 53.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.35 -13.55 40.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.587 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -78.61 -53.81 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.491 0.186 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -70.49 -30.75 67.61 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.001 0.429 . . . . 10.0 110.341 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.493 ' O ' HG13 ' C' ' 471' ' ' VAL . 9.3 m-85 -125.93 78.38 69.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.916 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -84.72 9.95 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.365 2.043 . . . . 10.0 112.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -107.74 9.72 29.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.258 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.493 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -114.68 133.03 22.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.587 -0.278 . . . . 10.0 110.657 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -56.68 126.85 23.61 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.732 2.288 . . . . 10.0 112.241 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.44 -41.76 69.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.406 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -63.44 -28.07 69.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.633 0.254 . . . . 10.0 111.597 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 41.6 mt -79.02 -35.0 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.97 -42.18 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.21 -27.46 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.778 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.47 -49.13 64.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.33 -38.43 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 10.0 110.49 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -27.77 63.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.426 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.05 -3.98 59.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.231 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -112.2 -52.82 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -79.39 -40.55 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.354 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 63.13 37.23 11.58 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.17 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -160.49 129.35 4.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 10.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.49 -27.93 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -76.8 5.14 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.483 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 29.0 mt -122.61 -42.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -8.07 55.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 10.0 111.594 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.526 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 18.9 t70 -95.12 -61.05 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -26.27 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.907 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 8.1 tt -65.96 -20.35 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.61 0.243 . . . . 10.0 111.267 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -21.09 60.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 10.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.649 -179.21 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -112.13 144.5 41.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.057 0.456 . . . . 10.0 111.456 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -131.7 172.15 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.125 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.0 m-85 -122.79 117.15 25.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.108 0.48 . . . . 10.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.32 115.53 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -96.48 133.96 40.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 10.0 110.826 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 164.62 12.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.581 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.25 -7.17 16.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -2.01 55.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.154 0.502 . . . . 10.0 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.54 -23.55 35.39 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.355 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.51 140.48 58.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.014 0.435 . . . . 10.0 111.185 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.36 118.28 32.29 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.24 127.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -93.8 110.26 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.88 148.38 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.784 0.326 . . . . 10.0 111.294 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -111.59 103.47 11.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.822 -0.806 . . . . 10.0 108.822 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.57 171.85 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.153 0.502 . . . . 10.0 111.336 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -113.01 159.26 35.31 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.549 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.19 -15.55 40.62 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 122.392 2.061 . . . . 10.0 112.583 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -91.23 -4.03 56.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.491 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.3 132.5 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.705 0.288 . . . . 10.0 110.726 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -83.1 155.32 23.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.131 178.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 47.4 mm -56.54 -38.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.721 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.7 97.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.84 -31.88 72.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.144 0.497 . . . . 10.0 110.18 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' THR . 88.8 t -66.8 -45.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 17.5 mtmt -64.21 -33.37 75.64 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.123 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.0 92.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.404 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -63.81 -39.05 93.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.83 -37.47 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.96 -37.85 87.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.52 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.04 -12.95 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.039 0.447 . . . . 10.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -104.75 -73.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.04 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.66 -36.68 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.275 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 29.3 11.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.112 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -104.35 126.72 30.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.11 151.54 58.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.65 2.233 . . . . 10.0 112.414 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.15 -14.34 28.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.74 2.294 . . . . 10.0 112.579 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.01 -42.45 84.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.277 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -98.67 17.34 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.958 -178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -104.42 96.9 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.074 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -104.31 109.15 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -90.33 125.65 35.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 10.0 111.335 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.77 138.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.554 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.425 ' HB3' HD21 ' A' ' 50' ' ' LEU . 66.2 t80 -138.45 121.15 16.34 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.91 25.02 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.493 0.496 . . . . 10.0 111.578 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.43 66.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.885 -0.674 . . . . 10.0 113.547 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -127.34 142.11 51.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.444 -0.445 . . . . 10.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.68 144.79 35.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.94 0.4 . . . . 10.0 111.003 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 45' ' ' PHE . 13.9 mt -96.97 143.2 28.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.825 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 48.3 mt-10 -95.62 145.98 24.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -60.31 -34.38 73.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.903 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.08 29.39 4.27 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.737 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.1 mmt180 -128.01 163.94 23.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.154 0.477 . . . . 10.0 110.072 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.8 p -106.83 172.68 6.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.547 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.99 -30.05 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.263 0.554 . . . . 10.0 109.676 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -69.01 -26.85 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.93 -41.01 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.26 13.53 31.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.66 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 57.2 36.16 27.1 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.516 0.51 . . . . 10.0 111.242 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.29 112.22 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -97.6 -163.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.356 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.56 154.0 32.79 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.168 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.21 14.01 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.683 0.614 . . . . 10.0 112.093 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -77.29 143.1 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.907 -0.317 . . . . 10.0 110.273 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.2 m -98.26 118.52 35.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.897 0.379 . . . . 10.0 110.937 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.81 146.38 30.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.702 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -105.74 135.1 47.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.596 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -113.05 104.74 12.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.179 0.514 . . . . 10.0 110.855 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.88 135.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -89.52 159.49 17.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.052 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.8 ttt180 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.927 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -100.71 139.12 36.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.125 0.488 . . . . 10.0 111.256 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.46 165.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.724 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.8 m-85 -116.96 113.55 22.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.771 0.319 . . . . 10.0 111.216 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.82 116.43 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -102.44 133.93 46.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 10.0 111.22 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 p -93.17 169.87 10.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.2 -33.28 74.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.715 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -31.35 70.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.464 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.74 -10.47 9.02 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.66 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 79.4 tttt -70.2 123.75 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.737 0.303 . . . . 10.0 110.619 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -103.51 124.51 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.78 131.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.694 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.35 136.95 32.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -135.29 146.18 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 10.0 111.557 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -92.4 116.69 29.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.492 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.76 166.34 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.639 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 50.7 mm-40 -124.44 161.87 45.51 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 -24.03 65.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.281 1.988 . . . . 10.0 112.631 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.32 14.55 23.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.457 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -81.91 135.26 35.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 10.0 110.715 -179.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.414 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.9 OUTLIER -86.58 148.95 25.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.138 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.31 -36.26 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.55 . . . . 10.0 110.445 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.07 -38.83 90.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -71.88 -37.62 70.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.081 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.414 HG21 ' O ' ' B' ' 22' ' ' THR . 98.9 t -62.0 -42.38 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.111 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -65.36 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.439 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.79 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.224 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 32.5 mttt -69.35 -37.08 77.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 37.9 mt -71.67 -31.07 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 10.0 109.584 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 41.9 tt0 -67.11 -26.62 66.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.257 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.94 -28.36 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.011 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -88.35 -54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 61.2 mm-40 -91.82 -30.97 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.731 0.271 . . . . 10.0 111.731 -178.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.1 23.3 32.73 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.779 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.17 125.72 55.55 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.852 -0.205 . . . . 10.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.26 138.6 83.99 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.762 2.308 . . . . 10.0 112.151 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.9 -20.3 59.1 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.145 2.563 . . . . 10.0 113.56 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -18.48 47.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 10.0 110.816 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -104.94 0.17 27.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.977 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -94.0 115.11 27.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.548 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -119.71 102.88 8.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.796 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.71 124.78 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.046 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.92 131.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.544 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -125.01 115.33 20.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.044 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.79 28.85 18.58 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.516 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.63 76.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.842 -0.694 . . . . 10.0 112.652 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -96.68 131.38 43.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.818 0.342 . . . . 10.0 110.71 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -79.09 126.5 30.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.103 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.1 mt -83.41 137.15 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.854 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.02 147.48 26.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.26 -50.48 69.39 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.563 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.78 39.26 1.98 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.392 -0.432 . . . . 10.0 113.938 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -139.1 161.16 38.07 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -107.97 170.28 8.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.857 0.36 . . . . 10.0 110.872 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.675 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -28.81 68.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.255 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -62.84 -33.46 75.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.128 0.49 . . . . 10.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -102.56 13.47 34.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.522 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 59.05 32.7 22.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.496 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.28 115.75 23.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.966 0.412 . . . . 10.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.64 -167.62 1.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.009 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.403 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 56.4 pttt -77.66 155.37 31.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 69.58 12.62 8.19 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.68 0.613 . . . . 10.0 111.822 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 m -78.88 140.54 38.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 10.0 110.821 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.4 m -99.35 122.22 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.446 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -107.3 144.52 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.917 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -102.1 127.05 49.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.482 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.1 tp -106.44 112.47 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.181 0.515 . . . . 10.0 111.016 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.76 125.86 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.772 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.138 0.494 . . . . 10.0 111.169 -179.457 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 10.0 110.394 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -65.96 -44.65 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.379 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.958 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.39 -37.88 86.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.425 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.82 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.451 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -60.37 -38.66 84.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.474 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.66 -36.11 81.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 70.7 mt -70.28 -35.45 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.609 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -64.4 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.776 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.74 -24.16 59.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 47.8 mtm -91.55 -44.5 9.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 10.0 110.256 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -123.9 78.94 57.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.285 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.49 8.62 2.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.293 1.995 . . . . 10.0 112.615 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.71 -19.78 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.458 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.35 130.28 34.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.395 -0.224 . . . . 10.0 110.395 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.52 128.36 27.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.871 2.38 . . . . 10.0 112.931 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.84 -43.03 63.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -63.75 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.573 0.225 . . . . 10.0 111.495 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 22.7 mt -74.38 -32.53 62.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.9 -41.03 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.277 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.57 -29.93 70.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.871 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -57.56 -56.12 26.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.2 t70 -67.92 -31.11 70.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.054 0.454 . . . . 10.0 110.343 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.5 OUTLIER -65.71 -13.38 59.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.887 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.11 -24.41 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 10.0 110.062 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.54 -58.55 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.953 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.8 p -87.26 -37.47 17.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.422 . . . . 10.0 109.882 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 10.0 mtt180 63.44 27.7 15.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.121 -0.945 . . . . 10.0 111.701 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.49 126.97 16.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.79 0.329 . . . . 10.0 111.212 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.21 -26.1 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.343 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.37 -3.28 36.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 48.0 mt -119.12 -45.25 2.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.884 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.431 HG23 ' HB3' ' C' ' 479' ' ' ASP . 53.1 m -55.51 -62.56 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.719 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -39.39 85.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.246 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.503 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 25.2 t0 -62.72 -50.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.79 -45.96 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.706 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.34 -42.24 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.08 -19.74 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.004 0.43 . . . . 10.0 110.741 178.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.705 -0.479 . . . . 10.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -103.8 137.59 41.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.861 0.362 . . . . 10.0 110.913 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.03 162.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.23 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -115.4 133.44 56.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.48 117.88 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -90.19 141.43 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.087 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -117.13 166.65 11.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.728 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.73 -7.27 51.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.24 -9.48 38.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.78 0.324 . . . . 10.0 111.156 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.2 17.87 41.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.841 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -104.84 128.2 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.814 0.34 . . . . 10.0 110.744 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.22 108.89 21.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 10.0 110.138 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mt -89.68 151.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.393 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 129.09 49.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.395 -0.595 . . . . 10.0 109.395 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -137.04 156.2 48.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 10.0 111.192 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -100.49 120.79 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.413 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.2 m -140.72 177.37 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.91 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' HD11 ' A' ' 56' ' ' LEU . 22.8 mm-40 -135.75 158.85 73.28 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.98 -34.87 58.53 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.789 2.326 . . . . 10.0 113.621 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 m -85.8 10.66 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.11 149.07 33.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.4 145.06 24.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.847 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.28 -40.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.23 -36.72 80.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.013 0.435 . . . . 10.0 110.11 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.6 t30 -67.23 -37.28 83.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.791 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.42 -39.85 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.16 -41.04 97.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.215 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.81 82.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.959 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 80.0 mttt -67.96 -33.97 75.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.21 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.86 -38.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.525 0.679 . . . . 10.0 109.25 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.33 -52.33 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.066 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -81.85 48.32 1.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.745 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -161.91 -58.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.482 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.16 -27.69 19.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.64 49.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.799 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -95.62 121.16 62.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.25 137.76 72.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.687 2.258 . . . . 10.0 112.052 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.51 -23.8 33.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.284 2.656 . . . . 10.0 112.88 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.45 -30.98 71.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.072 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.43 -4.81 33.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.686 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -84.91 102.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.28 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -104.19 87.47 2.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.69 125.38 26.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.405 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.79 141.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.958 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -137.14 116.35 12.58 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 22.38 13.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.543 0.527 . . . . 10.0 111.378 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA3' HE22 ' C' ' 470' ' ' GLN . . . 91.97 11.23 60.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 10.0 113.272 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -126.08 146.45 49.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.21 147.7 28.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.96 0.41 . . . . 10.0 111.389 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -97.6 134.56 40.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.299 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -84.91 136.62 33.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.738 0.304 . . . . 10.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.79 -39.35 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.921 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.26 39.01 2.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.323 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -135.33 162.76 31.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 63.7 p -108.79 168.89 9.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.261 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.446 HD11 ' O ' ' A' ' 18' ' ' GLU . 57.8 mt -63.94 -34.13 77.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 10.0 110.389 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -22.59 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.142 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -65.03 -41.87 94.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.993 0.425 . . . . 10.0 110.554 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.37 8.36 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.512 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 t30 63.41 32.01 14.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 10.0 111.126 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -75.72 124.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.997 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.13 -163.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.987 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -68.35 149.54 49.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.249 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 71.61 2.41 4.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.737 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -68.55 135.25 51.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.802 0.334 . . . . 10.0 110.395 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -101.68 115.34 30.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.097 0.475 . . . . 10.0 110.951 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -94.03 149.29 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.663 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -112.54 121.53 45.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.679 0.276 . . . . 10.0 110.521 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.9 tp -97.39 103.51 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.462 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.68 129.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.454 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -89.85 119.95 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.517 -179.455 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.872 0.367 . . . . 10.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -99.41 135.4 40.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.414 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.09 156.83 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.934 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.4 m-85 -115.72 112.32 21.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.38 109.87 26.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.301 -0.409 . . . . 10.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -99.01 125.23 44.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 10.0 110.987 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.48 162.08 16.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.621 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -56.28 -28.28 58.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.701 0.286 . . . . 10.0 111.6 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -10.95 60.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.924 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.71 -24.05 29.57 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.372 -0.691 . . . . 10.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -56.82 124.94 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.197 -0.501 . . . . 10.0 110.99 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -110.7 111.69 23.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -95.09 132.82 38.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.183 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -98.88 119.59 37.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -123.13 151.73 41.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.001 0.429 . . . . 10.0 110.968 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -105.57 119.77 39.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.57 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.3 m -138.17 172.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.93 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -126.01 158.43 66.0 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.35 -28.41 53.24 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.395 2.064 . . . . 10.0 112.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.15 10.4 14.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.977 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.36 142.31 27.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -92.87 153.42 18.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.772 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 47.8 mm -58.68 -39.17 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.458 . . . . 10.0 109.82 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.82 -37.46 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.656 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -73.57 -38.03 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.437 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.03 -43.05 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.439 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 44.5 mtpt -62.43 -33.75 75.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.087 0.47 . . . . 10.0 110.606 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.62 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.44 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -72.63 -36.74 68.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.211 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.25 -36.48 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.36 0.6 . . . . 10.0 109.385 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -68.17 -29.12 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.339 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.0 -43.0 36.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -86.37 -51.73 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.69 0.281 . . . . 10.0 111.603 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.05 10.36 14.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.49 -0.862 . . . . 10.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -88.13 122.24 70.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 140.56 49.97 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.187 2.591 . . . . 10.0 112.291 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.16 -35.21 98.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.874 2.383 . . . . 10.0 112.781 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -29.28 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 10.0 111.052 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.55 2.21 54.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.943 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -99.13 123.77 43.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.291 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -119.34 100.95 7.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -89.58 121.64 31.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.94 134.82 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.741 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.626 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 65.8 t80 -132.49 118.15 18.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.043 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 22.29 13.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.18 -19.54 51.12 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.659 -0.781 . . . . 10.0 113.369 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 25.3 pttt -97.3 138.53 34.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.175 0.487 . . . . 10.0 110.62 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.32 134.58 35.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' B' ' 59' ' ' TYR . 13.9 mt -88.43 132.52 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.181 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.433 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.98 148.96 25.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.599 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.27 -40.12 95.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.595 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.45 3.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.114 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 24.8 mmt180 -138.26 160.49 39.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -104.22 165.5 11.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.256 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.6 mt -65.8 -31.22 72.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.062 0.458 . . . . 10.0 110.287 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -22.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.815 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -70.16 -27.39 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 10.0 111.242 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.422 ' CD2' HD23 ' B' ' 50' ' ' LEU . 85.5 m-85 -106.8 7.11 30.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.53 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 61.87 40.08 13.01 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.797 0.686 . . . . 10.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.8 mt -81.76 115.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.841 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.26 -164.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.673 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 151.63 38.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.741 -0.209 . . . . 10.0 110.493 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 70.66 6.58 5.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.197 0.599 . . . . 10.0 112.016 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -66.43 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 10.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.7 m -101.03 115.42 30.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.561 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -103.23 147.34 27.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.89 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.3 128.67 47.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.268 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 tp -106.16 104.13 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 10.0 110.72 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.59 141.39 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.76 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 10.0 110.969 -179.232 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.645 0.26 . . . . 10.0 110.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.18 -39.69 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.849 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.67 91.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.826 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 30.6 mtm -68.49 -38.68 81.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.514 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.02 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.546 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -60.43 -44.35 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.683 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -64.28 -35.24 80.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.907 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.1 -36.55 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -62.9 -29.74 71.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.355 0.598 . . . . 10.0 110.046 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -68.12 -33.91 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 10.0 111.106 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 2.5 mmm -83.45 -42.36 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.53 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.484 ' O ' HG13 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.23 92.39 42.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.552 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.3 10.75 3.1 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.394 2.063 . . . . 10.0 113.5 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . 0.431 HE22 ' HA3' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -115.41 17.67 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 10.0 111.421 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.484 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.8 p -119.93 128.43 25.87 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . 0.447 ' O ' HG23 ' C' ' 476' ' ' VAL . 31.8 Cg_exo -59.73 132.6 46.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 10.0 112.523 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.26 -44.63 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.885 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -63.58 -31.53 72.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.9 mt -74.02 -30.64 62.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.887 0.375 . . . . 10.0 110.071 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.4 t -71.07 -42.25 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.76 -31.17 71.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.429 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.02 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.409 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.6 t70 -71.63 -37.68 70.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -36.78 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.11 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -88.21 0.99 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.008 0.432 . . . . 10.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -54.33 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.4 p -89.82 -35.47 15.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.434 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 65.07 28.25 12.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.743 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.4 t -147.44 118.05 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.361 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.77 -27.37 42.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.918 0.39 . . . . 10.0 110.929 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.78 -25.84 65.8 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.838 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -96.22 -40.85 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.126 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.409 HG23 ' HB3' ' C' ' 479' ' ' ASP . 85.5 m -57.31 -55.19 37.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.487 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -29.59 70.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.731 0.301 . . . . 10.0 110.607 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.17 -40.18 74.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 10.0 109.945 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.336 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 44.0 mt -78.25 -37.47 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 10.0 109.978 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -45.24 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.426 -0.806 . . . . 10.0 111.298 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.557 -179.399 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.3 ptt? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -94.29 135.88 35.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.889 0.376 . . . . 10.0 111.101 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -121.03 163.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.053 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -119.59 116.41 25.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.17 116.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.47 140.09 29.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.816 0.341 . . . . 10.0 110.085 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.0 p -115.6 168.2 10.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.52 -10.19 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.45 1.52 57.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.684 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 7.08 87.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.271 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -92.11 142.42 27.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.01 0.405 . . . . 10.0 110.513 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -108.83 108.09 18.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.955 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.25 125.13 41.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.594 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -100.94 131.52 46.78 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.67 151.44 48.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 10.0 111.516 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.38 112.43 24.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 1' ' ' MET . 18.2 m -132.18 162.28 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD11 ' A' ' 56' ' ' LEU . 37.1 mm-40 -121.81 155.26 60.51 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -50.78 -34.15 43.49 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 122.381 2.054 . . . . 10.0 113.465 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -84.27 5.6 26.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.14 154.49 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.004 0.431 . . . . 10.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 143.93 29.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.659 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.61 -39.69 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 10.0 110.478 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.33 -38.6 80.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.652 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -67.79 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.93 -40.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.603 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.75 -37.81 85.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.858 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.61 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.491 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.04 -40.54 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.019 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -67.03 -38.44 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.78 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -65.91 -35.88 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.016 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.28 -34.16 70.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.177 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -83.55 -53.27 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -85.08 -52.35 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.15 5.5 17.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.525 -0.845 . . . . 10.0 111.891 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.13 123.35 68.84 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.6 143.76 87.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.617 2.211 . . . . 10.0 112.19 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.1 Cg_exo -57.73 -24.45 63.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 10.0 112.656 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.15 -30.64 69.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.442 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -103.73 15.74 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.091 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.37 101.95 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 10.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -104.57 91.89 4.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.316 0.579 . . . . 10.0 109.489 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -77.79 127.7 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.954 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.22 137.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.195 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -137.43 122.46 19.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.36 27.04 16.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.31 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -7.99 80.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.119 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -104.58 145.52 30.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.2 143.18 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.56 139.45 30.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 143.81 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 10.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.93 -26.08 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.09 11.37 65.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.733 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -119.26 164.65 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.128 0.464 . . . . 10.0 110.718 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -105.89 179.48 4.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.735 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.1 mt -69.21 -37.21 77.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 10.0 111.476 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -15.82 63.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.39 -22.52 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -114.91 9.15 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.47 36.37 17.2 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.483 -0.78 . . . . 10.0 111.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.33 110.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.12 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -96.48 -172.83 2.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.768 0.318 . . . . 10.0 111.523 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 64.95 15.44 9.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.82 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 153.49 38.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.719 0.295 . . . . 10.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.7 m -102.87 119.98 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 10.0 111.238 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.63 141.18 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 50.1 m80 -104.49 121.43 43.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.968 0.413 . . . . 10.0 110.971 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -97.48 98.9 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 10.0 110.208 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.9 t -87.02 128.43 39.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 30.1 mt -78.78 159.08 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.393 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.71 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -115.62 137.38 52.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.957 0.408 . . . . 10.0 111.199 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -123.45 169.09 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.668 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -121.97 133.83 54.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.742 0.306 . . . . 10.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.4 117.05 53.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.738 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -97.42 132.62 42.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.028 0.442 . . . . 10.0 110.465 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 1.2 p -99.52 170.34 8.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.607 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.6 -14.5 62.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.382 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -7.5 58.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.813 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.74 9.98 63.68 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.02 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 82.9 tttt -87.0 127.34 35.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.294 . . . . 10.0 110.701 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -105.02 103.64 13.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.34 143.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.215 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -104.07 132.16 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -133.19 145.89 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 10.0 111.669 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -91.7 122.12 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.732 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 m -142.72 170.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.661 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.8 mm-40 -131.09 163.72 47.21 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.93 -33.71 89.79 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 121.963 1.775 . . . . 10.0 112.037 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.25 9.75 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.136 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -76.55 128.93 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 10.0 110.523 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.11 145.3 35.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.18 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.42 -38.47 63.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.221 0.534 . . . . 10.0 109.736 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.95 -34.13 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.79 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.4 -35.43 73.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.303 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.694 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.3 mmmm -62.51 -38.23 89.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.83 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . . . -69.43 -30.18 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.64 -36.39 65.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.115 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -71.8 -39.26 67.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.14 -25.43 66.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.392 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.09 -46.88 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.101 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -79.37 -46.82 16.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -89.96 -41.74 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.127 0.788 . . . . 10.0 113.127 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.43 41.42 5.77 Favored Glycine 0 C--N 1.322 -0.226 0 C-N-CA 120.205 -0.997 . . . . 10.0 111.527 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.74 129.27 24.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.93 126.54 18.93 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.743 2.295 . . . . 10.0 112.386 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -54.43 -28.43 54.09 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.899 2.399 . . . . 10.0 113.227 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -14.97 62.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.344 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -105.18 -3.33 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.01 0.433 . . . . 10.0 110.542 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.512 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 77.9 mt-30 -89.66 106.58 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.168 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -109.79 102.26 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.7 122.8 31.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.337 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.68 128.0 75.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.428 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -105.2 100.5 10.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.969 0.414 . . . . 10.0 111.179 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.77 18.53 4.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.725 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.32 -27.7 6.0 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.201 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -88.73 116.74 27.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 10.0 110.41 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.29 135.6 52.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.216 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -92.13 129.46 38.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.281 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -94.73 134.14 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.667 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.87 -34.22 40.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 19.52 10.42 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.178 -0.534 . . . . 10.0 113.726 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -124.83 167.71 14.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.097 0.449 . . . . 10.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.47 162.61 14.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.009 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.25 -36.76 83.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 10.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.473 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.3 -41.8 96.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -89.15 4.15 49.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.013 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 61.38 31.56 19.17 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.094 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.13 113.34 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.066 0.46 . . . . 10.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.99 -170.12 1.59 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.622 -0.717 . . . . 10.0 109.196 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 12.2 pttp -69.75 166.19 19.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.8 mp0 77.13 -27.26 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.697 0.623 . . . . 10.0 111.343 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.432 ' H ' ' C ' ' B' ' 63' ' ' LYS . 2.0 m -62.54 133.54 55.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 10.0 111.289 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.0 m -104.71 127.42 52.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.678 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.47 141.68 31.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.783 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.74 120.06 37.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -102.39 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.005 0.431 . . . . 10.0 111.294 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.82 123.85 56.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.811 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.916 -179.269 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.789 0.328 . . . . 10.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -62.47 -45.69 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.36 81.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.3 mtm -62.08 -37.41 84.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.26 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.964 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.4 -33.93 77.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.865 0.364 . . . . 10.0 110.043 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.54 -37.24 86.56 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 72.6 mt -72.5 -38.52 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.89 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.5 -33.31 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.6 -21.92 61.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.458 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 467' ' ' MET . . . . . 0.579 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 56.0 mmm -91.04 -43.34 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.748 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.429 ' O ' HG13 ' C' ' 471' ' ' VAL . 0.5 OUTLIER -120.92 82.63 36.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.794 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.97 43.76 1.54 Allowed 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.937 2.425 . . . . 10.0 112.578 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -146.94 17.61 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.475 . . . . 10.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.429 HG13 ' O ' ' C' ' 468' ' ' PHE . 8.5 p -123.22 135.66 26.21 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.575 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 129.49 32.3 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.202 1.935 . . . . 10.0 111.778 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -54.89 -43.36 73.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 10.0 112.018 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -65.83 -27.19 68.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.67 0.272 . . . . 10.0 111.581 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.09 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.919 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.38 -38.56 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.796 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.53 -49.22 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.279 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.77 -34.17 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.878 -0.329 . . . . 10.0 110.887 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -30.47 69.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 10.0 110.74 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -81.39 -10.2 59.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 10.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.41 -56.6 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.44 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.4 p -80.01 -39.23 30.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.333 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 65.12 28.74 12.22 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 12.5 t -150.34 120.79 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.904 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.53 -26.36 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.95 -22.44 63.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.15 -34.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.706 -0.225 . . . . 10.0 111.509 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.8 m -62.63 -60.08 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.694 0.257 . . . . 10.0 111.694 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -34.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.504 0.669 . . . . 10.0 111.046 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.505 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 17.8 t0 -70.05 -49.37 51.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.947 -1.024 . . . . 10.0 111.68 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -53.88 -28.38 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.769 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.62 -39.43 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 10.0 110.389 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.81 179.687 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.985 0.421 . . . . 10.0 110.06 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -93.64 140.18 29.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.309 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.5 165.64 27.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.004 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' THR . 56.8 m-85 -116.77 114.88 24.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.651 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.98 115.32 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -96.05 137.65 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.847 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -113.4 172.04 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.77 -17.99 64.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.056 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 p -89.64 0.34 57.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 10.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 -5.49 84.8 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.135 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 13' ' ' ILE . 61.2 tttp -71.24 134.67 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.748 0.309 . . . . 10.0 110.521 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -113.86 109.78 19.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.232 0.539 . . . . 10.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG12 ' HE3' ' A' ' 11' ' ' LYS . 6.1 mt -88.86 138.3 19.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.285 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.91 120.02 40.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.742 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.9 150.47 52.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.996 0.427 . . . . 10.0 111.832 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.26 113.49 25.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.321 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' HG2' ' A' ' 1' ' ' MET . 16.1 m -133.39 169.59 21.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.372 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 56' ' ' LEU . 28.7 mm-40 -133.92 158.72 74.75 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.09 -37.29 68.45 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.294 1.996 . . . . 10.0 112.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.73 7.38 8.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.462 0.541 . . . . 10.0 112.462 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -81.75 132.48 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 142.09 36.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.605 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -52.87 -41.07 38.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.901 0.381 . . . . 10.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.52 -42.7 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.618 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.26 -36.44 84.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.16 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' ILE . 96.4 t -61.11 -44.93 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.786 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -64.28 -32.71 74.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.5 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.03 90.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.148 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.29 -39.13 91.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.888 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 26' ' ' VAL . 40.3 mt -71.5 -38.07 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.651 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -83.14 -52.91 6.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.854 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -77.28 -67.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.875 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.29 12.32 4.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.337 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.45 126.61 63.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.6 Cg_exo -50.93 143.12 31.61 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.782 2.321 . . . . 10.0 112.623 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 Cg_exo -61.93 -19.09 64.63 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.725 2.283 . . . . 10.0 113.492 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.18 -20.52 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 10.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -97.67 1.96 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 10.0 109.803 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.54 101.87 13.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.308 -0.86 . . . . 10.0 109.958 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 9.9 mtp180 -98.25 108.53 21.25 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.66 119.52 29.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.004 0.43 . . . . 10.0 110.929 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.403 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.7 mp -114.83 133.45 60.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.33 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -139.19 126.87 21.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.274 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 22.03 12.53 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.76 20.52 50.45 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.35 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -143.15 162.02 36.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.841 0.32 . . . . 10.0 110.227 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.12 150.39 22.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.759 0.314 . . . . 10.0 110.688 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.79 145.85 29.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.39 150.77 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.627 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.46 -32.16 68.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.35 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.57 35.54 4.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.995 -0.621 . . . . 10.0 113.286 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -130.02 160.39 33.81 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.2 p -99.61 178.57 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.528 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 18' ' ' GLU . 87.7 mt -73.77 -32.38 63.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.064 0.459 . . . . 10.0 109.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -20.78 63.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.637 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -60.65 -37.07 80.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.977 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.86 15.27 25.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.932 -0.577 . . . . 10.0 110.789 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 58.62 42.28 20.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.934 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.52 127.85 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.156 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -121.55 -162.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.0 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -68.94 148.13 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.332 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 62.65 27.03 15.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.744 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.6 m -87.31 144.51 26.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.7 m -101.74 124.9 48.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.765 0.317 . . . . 10.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.79 142.67 45.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -101.44 128.19 47.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.918 0.389 . . . . 10.0 110.23 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.23 101.25 10.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.253 0.549 . . . . 10.0 110.675 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 74.8 t -89.55 134.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.147 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.1 168.04 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.195 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 23.0 ttt180 . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 120.746 0.308 . . . . 10.0 110.691 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -110.44 132.96 53.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.588 0.232 . . . . 10.0 111.182 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.14 158.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -115.47 124.43 51.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.709 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 121.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -109.63 132.94 53.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 10.0 111.178 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -95.95 169.39 10.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.16 -19.17 65.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.87 0.367 . . . . 10.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 -10.45 58.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.258 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 -15.51 58.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.037 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -63.77 114.07 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 10.0 110.437 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -109.08 125.89 52.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.425 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.9 160.17 16.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.101 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -112.04 131.77 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.213 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -127.97 147.44 50.49 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.13 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -93.76 123.03 36.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.258 0.551 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.17 -179.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.552 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.4 mm-40 -146.27 164.06 26.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.81 -32.25 65.68 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.389 2.059 . . . . 10.0 113.002 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.4 10.15 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.233 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.67 149.62 26.39 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.215 -0.303 . . . . 10.0 110.239 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.404 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -100.73 145.26 28.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.82 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.04 -40.41 72.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.158 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.44 -37.36 80.69 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.24 0.543 . . . . 10.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.455 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.8 t30 -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.404 HG21 ' O ' ' B' ' 22' ' ' THR . 78.3 t -62.12 -42.21 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.716 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -64.01 -33.39 75.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.869 0.366 . . . . 10.0 110.633 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.995 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.4 mttt -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.512 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.04 -39.05 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.726 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.77 -37.2 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.18 -16.99 60.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.935 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -106.32 -52.59 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.8 -14.79 38.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.33 21.06 79.98 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.983 -0.627 . . . . 10.0 113.101 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.99 121.43 64.17 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.68 -0.306 . . . . 10.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.26 134.72 65.97 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.675 2.25 . . . . 10.0 112.236 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.63 -27.42 41.68 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.148 2.566 . . . . 10.0 113.38 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -21.36 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 10.0 111.147 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -103.52 11.1 36.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.557 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -104.9 133.2 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.484 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -139.06 104.5 5.05 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.86 128.93 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.093 0.473 . . . . 10.0 111.692 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -121.49 131.81 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.17 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.7 t80 -139.36 127.53 22.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.124 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.26 25.07 13.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.296 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.57 4.02 90.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.91 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -109.57 139.83 44.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.709 0.29 . . . . 10.0 110.298 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -81.28 127.17 32.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' B' ' 45' ' ' PHE . 21.6 mt -83.28 112.74 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.893 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 45.0 mt-10 -74.95 141.25 44.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.035 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.23 -36.49 70.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.179 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.92 24.33 9.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.731 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -121.46 161.95 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.979 0.419 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -100.58 169.58 8.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.3 mt -70.41 -32.94 70.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.931 0.396 . . . . 10.0 110.64 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.22 -28.66 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.238 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.06 -44.31 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.233 0.54 . . . . 10.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.415 ' CD2' HD23 ' B' ' 50' ' ' LEU . 74.2 m-85 -89.18 8.77 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.203 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 63.79 30.77 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.571 0.545 . . . . 10.0 111.361 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.2 mt -78.34 107.77 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.772 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -105.14 -164.13 1.01 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.345 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 158.15 36.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 61.67 43.39 9.89 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -110.01 136.98 48.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.398 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -107.41 119.95 40.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.62 135.41 45.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.985 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -93.47 126.36 38.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -107.88 110.6 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 10.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.53 134.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.052 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 10.0 111.237 -179.384 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.832 0.349 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.37 -47.2 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.397 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.978 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 13.7 mtm -70.54 -39.76 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.441 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.62 97.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -58.86 -34.8 72.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.786 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.84 -38.69 92.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 10.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.91 -35.64 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.179 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -63.71 -24.49 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.641 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.01 -13.08 60.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.963 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 44.3 mtm -102.8 -42.4 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.992 0.425 . . . . 10.0 110.273 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 468' ' ' PHE . . . . . 0.609 ' O ' HG13 ' C' ' 471' ' ' VAL . 15.5 m-85 -122.16 86.48 47.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.918 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.69 -9.72 22.84 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.754 2.303 . . . . 10.0 113.15 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -87.61 -5.66 58.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 471' ' ' VAL . . . . . 0.609 HG13 ' O ' ' C' ' 468' ' ' PHE . 6.1 p -94.21 135.02 24.86 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.96 126.9 20.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.292 1.995 . . . . 10.0 112.071 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -55.28 -37.73 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.208 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -66.5 -27.59 67.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.521 0.2 . . . . 10.0 111.076 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.75 -37.43 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 10.0 109.982 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.02 -45.82 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.603 . . . . 10.0 109.52 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -32.49 73.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.591 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.14 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.081 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 479' ' ' ASP . . . . . 0.421 ' OD2' HG23 ' C' ' 489' ' ' THR . 23.6 t70 -69.08 -36.28 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.084 -0.246 . . . . 10.0 111.293 -179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.15 -25.89 62.01 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.851 0.357 . . . . 10.0 111.285 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.93 -5.03 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.059 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.72 -61.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.7 p -67.79 -46.05 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.71 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 63.82 25.87 14.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.003 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.5 t -153.48 106.01 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.764 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.2 m -57.74 -25.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.918 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 -36.56 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.858 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.36 -30.9 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.152 0.501 . . . . 10.0 110.608 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 489' ' ' THR . . . . . 0.528 ' O ' HG13 ' C' ' 493' ' ' ILE . 58.7 m -61.34 -65.84 0.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.178 -178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -35.03 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.953 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 491' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 21.0 t70 -65.96 -51.43 58.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.5 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.14 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 493' ' ' ILE . . . . . 0.528 HG13 ' O ' ' C' ' 489' ' ' THR . 66.7 mt -67.25 -40.57 85.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.91 -35.62 59.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.544 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.923 179.515 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -102.17 139.6 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.969 0.414 . . . . 10.0 111.599 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -128.12 156.28 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.537 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -116.43 107.28 14.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.828 0.347 . . . . 10.0 110.947 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -94.24 117.44 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -100.73 141.7 33.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.0 0.429 . . . . 10.0 110.926 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -110.22 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.322 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.45 -9.01 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.385 . . . . 10.0 110.86 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -10.45 44.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.11 35.01 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.87 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 62.6 tttt -92.69 139.8 30.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 10.0 110.344 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.57 98.34 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -87.98 124.37 41.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.084 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.92 117.55 30.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.218 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.0 mt -119.81 149.53 41.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.189 0.519 . . . . 10.0 111.521 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.35 111.15 23.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.595 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.48 166.04 28.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.626 -0.261 . . . . 10.0 110.492 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -133.38 162.18 59.25 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.22 -31.76 30.23 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.832 2.354 . . . . 10.0 113.693 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -81.08 -5.07 57.21 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -70.66 154.18 42.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.032 0.444 . . . . 10.0 110.301 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.02 144.29 32.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.452 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 48.8 mm -55.09 -38.22 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.235 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 10.0 110.359 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -64.19 -38.24 90.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.331 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.3 t -60.71 -43.25 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.001 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 42.7 mtmt -65.22 -35.33 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.493 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.32 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.38 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.9 mttt -64.32 -40.77 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.121 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.59 -33.42 63.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.138 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.404 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 65.4 tt0 -65.52 -33.85 76.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.73 -27.62 40.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.993 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 74.9 mmtt -81.9 -56.39 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 32.4 mm-40 -97.95 -33.82 11.06 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 96.51 38.06 4.59 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.285 -0.96 . . . . 10.0 112.103 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.19 119.56 50.61 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.43 144.97 70.58 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.905 2.403 . . . . 10.0 111.955 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.78 -26.73 49.01 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.875 2.384 . . . . 10.0 112.868 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -29.92 70.0 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.995 0.426 . . . . 10.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -99.54 10.8 40.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.416 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.0 105.61 15.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.116 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -115.31 103.61 10.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.06 116.63 22.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.427 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 HD12 ' CG2' ' A' ' 70' ' ' VAL . 1.5 mp -114.87 138.61 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.021 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -131.76 114.55 14.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.814 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.27 16.07 8.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.146 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 -1.5 34.86 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.562 -0.828 . . . . 10.0 113.527 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -122.81 150.23 43.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.098 0.449 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.81 147.93 26.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.847 0.356 . . . . 10.0 111.281 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.58 131.99 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.021 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.14 140.6 39.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' CG ' ' HZ2' ' A' ' 27' ' ' LYS . 4.2 m-20 -61.71 -32.36 72.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.515 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 37.12 3.03 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -138.31 161.86 35.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 10.0 110.338 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -108.49 176.26 5.18 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.83 -24.45 63.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.243 0.544 . . . . 10.0 110.337 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -73.75 -26.8 60.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.009 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.43 -25.54 67.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.018 0.437 . . . . 10.0 111.096 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -111.27 9.81 21.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.756 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.5 43.23 28.88 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.298 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -78.84 113.94 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 -168.45 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.471 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -70.03 148.71 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.597 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 59.84 27.46 16.78 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -76.34 140.81 41.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.888 -0.325 . . . . 10.0 110.479 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -93.56 125.79 38.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.72 131.6 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.854 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -96.03 110.7 22.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.77 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.31 105.59 17.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 10.0 110.314 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.4 ' CG2' HD12 ' A' ' 44' ' ' ILE . 46.5 t -85.42 119.55 34.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.4 153.5 29.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.108 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -159.14 177.15 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 10.0 111.726 -178.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.94 158.5 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.164 -0.925 . . . . 10.0 109.321 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -129.79 18.21 5.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 10.0 111.063 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 -69.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 119.153 -0.804 . . . . 10.0 111.162 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 14.9 ptt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.116 -0.328 . . . . 10.0 110.116 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.82 134.0 46.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.4 pt -121.22 159.98 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' B' ' 66' ' ' THR . 77.1 m-85 -118.34 109.84 16.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.846 0.355 . . . . 10.0 111.251 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -97.73 119.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -103.15 129.7 50.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.274 0.559 . . . . 10.0 110.569 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.01 166.76 13.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.542 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.72 -26.83 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -13.16 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.864 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.71 -10.4 52.82 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -63.84 140.59 58.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.292 -0.454 . . . . 10.0 110.092 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -122.33 126.85 48.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 10.0 110.793 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.6 131.35 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.649 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.76 125.38 40.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -120.2 145.7 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.25 0.548 . . . . 10.0 111.88 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.13 107.35 19.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.058 -0.973 . . . . 10.0 109.425 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.2 m -135.37 178.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.86 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 56' ' ' LEU . 8.8 mm-40 -145.68 158.55 49.66 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.25 -27.7 48.84 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.537 2.158 . . . . 10.0 113.305 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -3.72 53.98 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -84.08 152.8 24.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 10.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.406 ' O ' HG21 ' B' ' 26' ' ' VAL . 42.0 p -97.3 156.36 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.942 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.69 -36.7 76.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.958 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.0 -41.71 97.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.514 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.064 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.406 HG21 ' O ' ' B' ' 22' ' ' THR . 58.8 t -63.22 -41.0 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 97.6 mttt -62.83 -40.27 96.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.004 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.39 75.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.523 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.31 -39.48 74.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.036 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.76 -37.37 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.75 -34.94 79.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.28 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.72 -28.75 66.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.128 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -92.68 -64.81 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -81.73 -25.66 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 36.29 22.45 Favored Glycine 0 C--N 1.321 -0.304 0 C-N-CA 120.381 -0.914 . . . . 10.0 112.694 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -102.42 126.15 34.02 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.52 136.81 64.94 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.516 2.144 . . . . 10.0 112.001 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.45 -23.27 74.92 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.965 2.443 . . . . 10.0 112.454 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.82 66.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.406 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -92.98 -0.11 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -92.46 99.28 12.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -104.58 97.79 7.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -88.02 128.31 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.042 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.4 HG23 HD11 ' B' ' 44' ' ' ILE . 89.7 mt -127.74 129.79 70.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.785 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -113.83 99.24 7.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.726 0.298 . . . . 10.0 110.975 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.49 25.64 14.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 112.329 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.27 -14.19 30.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.668 -0.777 . . . . 10.0 112.588 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -89.95 120.21 30.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.609 -0.348 . . . . 10.0 110.522 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -78.78 119.08 21.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 123.71 27.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.478 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.9 144.93 28.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.464 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 4.6 m-20 -56.96 -48.67 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.797 0.332 . . . . 10.0 111.686 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.17 54.92 4.93 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.516 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.9 mmt180 -139.16 151.5 46.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.449 -0.204 . . . . 10.0 110.449 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.97 150.25 20.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.973 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.9 mt -61.09 -28.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 10.0 111.655 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -70.23 -21.05 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.103 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.26 -18.31 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.692 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.96 -0.45 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.674 0.273 . . . . 10.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 55.32 49.55 16.81 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.436 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.2 mt -85.63 130.19 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -166.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.381 0.61 . . . . 10.0 111.497 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -83.03 147.45 28.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.9 18.23 11.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.985 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 m -80.72 138.91 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.095 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -93.72 130.22 39.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 10.0 111.426 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -114.8 148.85 37.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.527 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -100.78 129.26 46.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.742 0.306 . . . . 10.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.8 tp -112.52 107.38 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.372 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 t -100.48 135.29 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.074 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.45 135.3 37.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -108.19 129.43 55.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.258 -0.428 . . . . 10.0 109.969 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.41 146.73 52.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 61.3 80.27 0.22 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.783 0.677 . . . . 10.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.6 158.8 20.88 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.747 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.691 -1.061 . . . . 10.0 112.112 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.579 0.228 . . . . 10.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 69.02 19.19 8.21 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.274 0.63 . . . . 10.0 111.055 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -33.7 20.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.017 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -92.23 -38.05 12.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.975 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.8 -47.13 86.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.248 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.326 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.77 99.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.351 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 63.8 mtm -64.96 -42.32 94.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.488 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.38 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.802 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -58.62 -38.43 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.652 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.2 tp60 -70.58 -42.68 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.264 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.61 -35.47 67.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.14 -25.05 67.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.851 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -24.21 31.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 110.343 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.4 mmm -81.73 -34.84 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.838 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.421 ' O ' HG13 ' C' ' 471' ' ' VAL . 7.5 m-85 -123.9 86.78 53.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.607 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -77.63 41.06 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.684 2.256 . . . . 10.0 112.369 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -150.04 6.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.255 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.421 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.2 p -107.86 138.85 20.17 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 121.33 -0.148 . . . . 10.0 110.662 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -65.02 124.98 13.84 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.168 1.912 . . . . 10.0 111.552 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -58.71 -37.35 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.093 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -64.43 -24.16 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 10.0 111.336 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 32.9 mt -84.16 -36.37 22.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 10.0 110.235 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.78 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.331 0.586 . . . . 10.0 109.548 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -24.97 67.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.409 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.89 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.681 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.26 -34.23 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.163 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -23.32 48.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.608 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.61 -11.05 43.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.871 0.367 . . . . 10.0 110.911 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 -35.16 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.246 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.5 p -98.84 -45.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.98 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.64 30.45 8.28 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.653 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.2 t -160.75 127.06 4.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.567 0.222 . . . . 10.0 110.654 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.88 -26.02 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.929 0.395 . . . . 10.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 39.1 mp0 -68.19 -24.0 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.931 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.28 -47.88 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.829 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.538 ' O ' HG13 ' C' ' 493' ' ' ILE . 25.9 m -52.78 -64.43 0.82 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -41.63 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 10.0 112.117 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 23.0 t70 -66.51 -48.18 70.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.077 0.465 . . . . 10.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -21.82 66.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.924 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.538 HG13 ' O ' ' C' ' 489' ' ' THR . 51.5 mt -63.3 -39.59 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -31.02 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.571 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.0 mm-40 -70.44 -37.63 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.77 30.29 1.16 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.425 -0.893 . . . . 10.0 113.136 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -77.04 -49.76 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 10.0 109.951 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 44.0 mt -91.35 135.92 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.037 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -70.63 116.94 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.49 154.59 94.2 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.546 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -67.29 96.8 0.41 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.315 2.01 . . . . 10.0 112.296 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -104.66 135.56 19.3 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.89 102.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.642 2.228 . . . . 10.0 112.482 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.252 1.216 0 CA-C-O 117.878 -1.058 . . . . 10.0 109.156 179.817 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -88.98 135.62 33.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.049 0.452 . . . . 10.0 111.863 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -123.03 161.83 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.255 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -117.71 104.07 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 10.0 111.586 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -92.16 123.49 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' O ' ' HE3' ' C' ' 467' ' ' MET . 7.8 tttp -107.74 132.18 53.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.027 0.441 . . . . 10.0 110.979 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.3 p -99.29 165.9 11.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.508 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.72 -12.88 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.117 0.484 . . . . 10.0 110.762 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.95 -3.01 57.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.89 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.91 35.71 20.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 10.0 112.154 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.3 144.67 44.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.79 120.78 40.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.122 0.486 . . . . 10.0 110.414 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.45 118.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.194 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.17 24.05 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.08 144.33 44.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 10.0 111.815 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.87 100.81 12.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.465 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 1' ' ' MET . 20.5 m -125.53 174.5 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.54 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HD11 ' A' ' 56' ' ' LEU . 54.6 mm-40 -129.05 157.92 74.39 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.31 -26.74 53.91 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.658 2.239 . . . . 10.0 112.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 9.46 28.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.79 141.52 31.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.078 0.466 . . . . 10.0 110.477 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.68 144.32 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.305 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.31 -40.36 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.057 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -57.95 -42.3 84.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.52 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.01 -39.16 90.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.241 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 22' ' ' THR . 61.0 t -60.78 -43.11 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.692 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -65.4 -35.43 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.436 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.36 86.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.801 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -64.71 -37.87 89.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.995 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.58 -38.12 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 121.356 0.598 . . . . 10.0 109.65 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.34 -36.08 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.89 -30.93 68.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.005 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -96.46 -44.59 7.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -89.64 -34.65 16.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.08 11.95 53.38 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.594 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -92.91 119.86 67.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -53.95 137.83 69.2 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.788 2.325 . . . . 10.0 112.315 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.15 -18.98 67.65 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.905 2.403 . . . . 10.0 111.961 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.02 -25.47 62.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.087 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -102.75 8.01 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.18 116.88 33.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.403 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -118.09 99.15 6.69 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.147 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.11 140.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.868 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -132.67 112.33 11.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.782 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 10.99 7.58 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.966 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.35 -15.32 17.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.391 -0.909 . . . . 10.0 113.035 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -103.39 149.15 25.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.959 0.379 . . . . 10.0 110.315 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.45 144.96 27.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.014 0.435 . . . . 10.0 110.766 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.82 137.19 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -82.31 145.51 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.103 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.8 -38.48 91.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 10.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.25 41.85 3.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.092 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -136.71 165.44 25.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -109.77 169.0 8.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.677 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 18' ' ' GLU . 45.1 mt -64.24 -34.59 78.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.633 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.7 m -67.9 -19.07 64.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.278 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.88 -24.86 61.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 10.0 111.131 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -114.3 12.95 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.81 32.79 22.56 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.34 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.1 mt -79.11 109.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -99.24 -166.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.017 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -70.98 151.77 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.938 0.399 . . . . 10.0 111.854 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 64.13 11.17 6.02 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.136 -0.938 . . . . 10.0 113.086 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -74.45 145.97 43.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 10.0 110.565 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -92.68 125.42 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.62 128.02 54.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.48 118.26 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.679 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.2 tp -99.66 107.92 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.019 0.438 . . . . 10.0 111.052 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.94 136.43 24.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.43 162.82 13.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.378 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -152.67 136.47 16.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.736 0.303 . . . . 10.0 110.504 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.3 102.0 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.183 0.516 . . . . 10.0 110.446 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 HH21 ' CG ' ' C' ' 491' ' ' ASP . 18.6 mmt180 -115.58 106.54 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.82 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.18 41.34 1.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.972 -0.633 . . . . 10.0 111.925 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 CA-C-O 118.199 -1.334 . . . . 10.0 111.648 -179.793 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.194 -0.298 . . . . 10.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -115.45 132.92 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.384 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -121.46 151.57 24.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.022 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' B' ' 66' ' ' THR . 47.9 m-85 -108.57 116.66 32.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.706 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -105.93 119.46 55.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -106.09 124.88 50.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.918 0.389 . . . . 10.0 110.978 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 64.7 p -82.89 169.59 15.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.606 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.46 -27.49 69.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 10.0 109.81 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -20.55 61.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.073 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.64 18.6 20.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.877 -0.678 . . . . 10.0 112.5 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.481 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 83.9 tttt -88.25 122.19 31.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.709 0.29 . . . . 10.0 110.453 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.63 105.19 17.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.06 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.19 125.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.049 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -90.5 137.6 32.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -130.69 134.2 46.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.807 0.337 . . . . 10.0 111.412 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -87.92 108.95 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.73 163.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.129 0.49 . . . . 10.0 111.407 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' O ' HD12 ' B' ' 56' ' ' LEU . 72.3 mm-40 -120.39 158.46 51.06 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.09 -34.56 78.56 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.242 1.961 . . . . 10.0 112.598 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.31 1.79 20.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -77.19 146.32 37.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG21 ' B' ' 26' ' ' VAL . 2.9 p -94.19 150.57 20.19 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.763 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.75 -37.2 52.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.151 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.75 -42.01 98.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.598 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.58 -35.65 77.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.417 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.5 t -60.53 -45.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.418 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 55.0 mtmt -65.62 -32.42 73.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.483 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.49 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.25 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.0 -35.85 79.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.153 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 26' ' ' VAL . 19.7 mt -73.35 -32.52 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.418 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 31.1 tt0 -63.64 -28.92 70.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.252 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.01 -30.78 39.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.174 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -87.02 -50.09 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.96 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.481 ' CD ' ' HZ1' ' B' ' 11' ' ' LYS . 54.9 mm-40 -92.09 -25.92 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 82.87 26.71 44.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.591 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.43 124.65 37.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.566 0.183 . . . . 10.0 110.794 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 137.74 72.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.794 2.33 . . . . 10.0 112.411 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.02 -21.98 44.62 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.038 2.492 . . . . 10.0 113.396 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.1 -27.51 61.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.401 0.619 . . . . 10.0 110.57 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -98.96 13.04 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.885 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -112.96 124.31 52.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.736 0.303 . . . . 10.0 111.732 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -122.71 110.94 16.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.891 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -98.59 132.96 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.097 0.475 . . . . 10.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.97 131.65 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.006 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -115.92 106.53 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 10.0 111.041 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 24.66 12.27 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.588 -0.733 . . . . 10.0 112.383 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.98 -15.83 43.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.115 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -93.85 114.33 26.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.25 135.37 50.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -85.73 131.55 34.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.864 0.364 . . . . 10.0 111.227 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.57 141.08 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.856 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -53.43 -48.33 68.85 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.424 0.453 . . . . 10.0 111.82 -179.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.6 51.84 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.978 -0.63 . . . . 10.0 113.072 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' B' ' 54' ' ' ARG . 39.1 mmt-85 -143.53 166.02 25.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.4 p -106.58 177.7 4.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.614 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.498 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.6 mt -76.14 -36.09 58.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.673 0.273 . . . . 10.0 110.621 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -21.7 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.015 0.436 . . . . 10.0 110.332 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -57.79 -31.87 66.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.201 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -111.11 11.72 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.809 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 58.2 47.34 14.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.925 . . . . 10.0 111.899 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -84.99 130.46 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -120.06 -167.62 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 10.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -75.75 154.37 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.301 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.85 21.63 11.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.42 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 m -90.17 157.16 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.872 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.0 m -124.28 139.64 53.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -126.69 156.98 40.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.336 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -102.87 133.15 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.063 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.09 113.0 24.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.383 . . . . 10.0 110.701 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.7 t -95.18 128.17 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.133 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.01 109.96 19.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.357 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -89.7 89.75 7.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.12 0.486 . . . . 10.0 110.468 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 31.3 mt -81.33 150.85 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.959 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.62 -47.72 3.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.778 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.36 88.26 0.46 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.852 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.14 0 CA-C-O 118.291 -1.283 . . . . 10.0 111.611 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 453' ' ' SER . . . . . 0.421 ' HB2' ' OG ' ' C' ' 455' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.353 0.131 . . . . 10.0 111.353 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 71.27 7.34 6.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.888 0.475 . . . . 10.0 111.622 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 455' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' C' ' 453' ' ' SER . 1.1 m -70.14 -33.36 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 10.0 111.184 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -101.3 -33.9 9.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.271 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.42 -43.56 93.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.99 -39.3 87.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 10.0 110.561 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.69 95.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.567 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.28 -35.53 81.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.394 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.81 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.957 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.07 -38.99 84.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.066 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.3 tp60 -64.64 -45.03 88.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.107 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 89.7 mt -66.09 -35.66 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.288 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.47 -26.22 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -79.97 -27.49 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.228 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 28.4 mmm -84.89 -32.26 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.366 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.403 ' O ' HG13 ' C' ' 471' ' ' VAL . 2.4 m-85 -119.93 79.38 24.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.656 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.97 44.31 1.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.5 2.133 . . . . 10.0 112.26 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.0 21.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.403 HG13 ' O ' ' C' ' 468' ' ' PHE . 12.2 p -131.25 137.9 31.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.351 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -61.81 128.8 25.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.504 2.136 . . . . 10.0 112.086 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -53.6 -44.91 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.433 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -63.49 -25.77 68.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.7 mt -77.82 -32.74 52.45 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.844 -0.343 . . . . 10.0 110.493 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.5 t -67.53 -40.6 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 10.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.39 -30.75 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.69 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.0 -48.8 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.53 -39.95 94.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.358 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.67 -35.01 71.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 111.073 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -85.25 4.61 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.94 -51.11 2.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.021 0.438 . . . . 10.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 66.9 p -89.34 -41.43 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.534 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? 68.11 27.97 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.471 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.7 t -149.07 121.63 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.14 -26.67 41.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.137 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.76 -29.93 67.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 23.1 mt -88.17 -39.83 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.435 ' O ' HG13 ' C' ' 493' ' ' ILE . 39.5 m -54.7 -51.71 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 10.0 111.729 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 4.6 p -63.85 -39.45 94.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.12 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.411 ' CG ' HH21 ' A' ' 74' ' ' ARG . 27.5 t0 -62.91 -48.64 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.732 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -55.19 -47.91 74.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' C' ' 489' ' ' THR . 74.6 mt -61.83 -43.76 97.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.866 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -37.46 85.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.587 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.64 -30.16 62.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.453 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 113.3 18.3 7.24 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.09 -39.76 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.554 -0.535 . . . . 10.0 109.554 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.32 127.6 49.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.76 128.47 35.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.104 0.478 . . . . 10.0 111.178 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.5 m -79.13 161.99 66.0 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.355 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -64.8 98.49 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.518 2.145 . . . . 10.0 112.234 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -100.9 130.01 26.11 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.872 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.91 118.9 5.66 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.208 2.605 . . . . 10.0 112.68 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.15 -0.929 . . . . 10.0 109.684 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.604 0.24 . . . . 10.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -99.92 144.59 28.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.916 0.389 . . . . 10.0 111.319 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.1 pt -131.03 167.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.04 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 66' ' ' THR . 66.0 m-85 -125.11 121.89 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.701 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.84 116.79 53.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.743 0.306 . . . . 10.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -87.58 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 10.0 110.438 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.76 160.26 15.61 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.565 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.4 -16.6 48.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.103 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -78.35 -7.19 56.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.813 0.34 . . . . 10.0 111.451 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 20.64 54.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.643 -0.789 . . . . 10.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 33.0 ttpt -114.94 147.53 39.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -109.28 114.77 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.091 0.472 . . . . 10.0 110.321 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -90.43 117.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 127.73 35.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.855 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.41 155.13 50.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 10.0 111.214 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -104.06 120.23 40.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.22 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 m -135.5 167.32 25.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.828 0.347 . . . . 10.0 111.087 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.2 mm-40 -120.09 158.68 49.8 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.533 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -36.83 97.57 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 122.251 1.968 . . . . 10.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -86.31 5.58 33.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.793 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.6 t0 -68.16 149.62 49.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 10.0 110.54 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 m -100.14 142.31 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.591 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -52.05 -44.54 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.293 0.371 . . . . 10.0 111.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.44 -44.48 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 10.0 110.557 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.35 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.074 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.24 -42.58 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.893 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -66.07 -34.05 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.273 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.71 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.945 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -66.37 -33.42 75.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.838 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -74.12 -30.11 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.434 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 37.5 tt0 -70.18 -32.34 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.239 -0.892 . . . . 10.0 110.095 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.37 -32.78 58.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -87.83 -55.69 3.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 10.9 mm-40 -87.19 -41.6 13.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.664 0.268 . . . . 10.0 111.657 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 102.57 1.12 49.94 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.059 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -68.11 126.72 92.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.16 134.88 55.05 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.411 2.074 . . . . 10.0 111.946 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.85 -18.29 26.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.739 2.293 . . . . 10.0 112.763 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -28.09 63.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.109 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.88 15.39 24.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.629 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -101.78 111.82 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.412 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -111.43 109.88 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 mt -93.96 114.55 26.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.005 0.431 . . . . 10.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.34 135.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.994 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -129.41 114.78 16.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.26 30.97 17.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.571 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.44 26.57 35.56 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.714 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 34.4 mtmt -138.99 136.77 35.71 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.552 -0.381 . . . . 10.0 110.659 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.24 125.1 29.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.9 mt -84.69 147.02 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.716 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.86 145.84 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.815 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -44.64 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.899 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.38 53.22 4.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.978 -0.629 . . . . 10.0 113.434 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -141.98 160.95 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 62.2 p -104.28 172.35 6.85 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 18' ' ' GLU . 80.2 mt -66.78 -29.16 69.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.329 0.585 . . . . 10.0 110.049 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -15.96 62.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.334 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -71.99 -26.14 62.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 10.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -118.62 16.69 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.423 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 58.81 34.98 24.06 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.597 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.55 120.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.957 0.408 . . . . 10.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -108.61 -162.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -76.6 152.01 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.28 18.99 11.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.113 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 m -77.58 136.14 38.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.586 0.232 . . . . 10.0 110.513 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.5 m -93.38 113.1 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.976 0.417 . . . . 10.0 111.234 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 146.28 26.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.481 ' CG ' ' HA ' ' C' ' 467' ' ' MET . 16.3 m80 -104.01 123.93 48.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.681 0.277 . . . . 10.0 110.481 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -98.35 104.39 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.14 0.495 . . . . 10.0 110.403 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.48 131.72 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.87 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.68 157.33 18.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.86 156.47 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.25 177.48 7.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.68 100.78 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 10.0 110.759 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.08 -133.84 3.05 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.867 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.502 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.7 -1.056 . . . . 10.0 112.32 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.467 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.801 0.334 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -98.1 136.59 38.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -125.08 162.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.9 m-85 -119.16 113.35 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.002 0.43 . . . . 10.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.26 119.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -103.02 129.28 49.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.126 0.489 . . . . 10.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -91.18 170.86 9.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.665 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.53 -19.22 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.323 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.31 -8.21 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.888 0.375 . . . . 10.0 110.853 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.36 -7.39 63.93 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.021 -0.609 . . . . 10.0 112.686 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -72.95 119.95 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 10.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.31 111.43 23.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.119 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.59 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.045 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -100.0 137.96 37.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.966 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -132.78 148.6 52.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.005 0.431 . . . . 10.0 111.298 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -93.84 112.79 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.402 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' B' ' 1' ' ' MET . 23.2 m -138.52 179.75 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.925 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -139.63 158.46 68.12 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.84 -28.66 68.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.103 1.869 . . . . 10.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 9.51 28.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.777 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -79.2 157.13 27.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.847 0.356 . . . . 10.0 110.24 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 146.24 27.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.498 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.4 -41.22 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 10.0 110.401 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.91 -42.24 89.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.81 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.0 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 3.2 mmmm -60.93 -40.67 94.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.992 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.88 76.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.661 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.37 -37.77 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.327 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.18 -35.44 63.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.588 0.708 . . . . 10.0 109.306 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.465 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 32.7 tt0 -70.26 -21.69 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.044 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.32 -39.61 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.906 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -77.49 -60.12 2.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.489 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.93 -51.71 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 10.0 111.179 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 115.54 -4.82 21.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 10.0 112.162 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.45 127.16 86.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.511 -0.181 . . . . 10.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.89 133.92 61.15 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.319 2.013 . . . . 10.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.49 -23.35 74.97 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.599 2.2 . . . . 10.0 111.643 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 -25.75 67.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.215 -0.902 . . . . 10.0 111.066 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -111.13 12.69 21.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.797 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.447 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 65.5 mt-30 -96.83 106.36 18.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.115 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -110.79 99.47 8.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.63 125.52 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.103 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -122.25 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.666 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.1 115.42 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.291 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.77 20.02 10.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.701 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.55 -10.92 56.44 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.502 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 52.1 mtmt -97.26 130.4 44.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.604 0.24 . . . . 10.0 110.62 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -76.83 137.22 39.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -93.59 122.84 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.886 0.374 . . . . 10.0 111.569 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.708 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.84 -37.19 65.86 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.069 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.04 35.14 2.76 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.281 -0.485 . . . . 10.0 112.892 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -135.35 163.38 30.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -104.99 168.69 8.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.532 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -66.2 -30.72 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.531 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -73.23 -21.55 60.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.19 -34.62 78.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 10.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.09 9.55 32.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.492 . . . . 10.0 111.075 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.79 40.0 10.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.502 0.501 . . . . 10.0 111.037 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -85.36 102.81 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.498 ' HB2' ' NH2' ' C' ' 484' ' ' ARG . 73.1 mt-30 -93.02 176.33 6.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.467 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 8.7 pttt -71.05 164.16 26.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 67.35 2.49 2.88 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.302 0.641 . . . . 10.0 112.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -84.47 148.9 26.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.3 m -99.36 133.42 43.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.422 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.34 143.04 45.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.747 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.15 131.45 45.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.773 0.321 . . . . 10.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.16 106.3 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.274 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.13 132.77 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.497 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.3 mt -100.61 118.68 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.239 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -114.96 117.46 30.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 10.0 110.664 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.53 -174.43 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.728 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -131.78 32.71 4.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 10.0 110.485 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.51 116.47 4.86 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.321 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.194 -1.337 . . . . 10.0 111.506 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.851 0.358 . . . . 10.0 110.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 62.5 21.03 12.35 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.441 -0.8 . . . . 10.0 111.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -45.8 91.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.796 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -64.69 -38.29 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.482 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.42 -41.62 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.88 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.94 -39.67 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.232 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.35 -40.38 89.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.52 -26.07 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.533 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -77.74 -40.99 39.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.03 -34.05 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.275 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.6 -25.61 68.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.64 -27.96 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 10.0 110.246 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.481 ' HA ' ' CG ' ' A' ' 68' ' ' HIS . 45.0 mtm -82.1 -48.83 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.267 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 16.5 m-85 -115.48 91.63 29.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.715 0.293 . . . . 10.0 110.683 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.61 40.18 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.792 2.328 . . . . 10.0 113.196 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.36 14.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.789 0.328 . . . . 10.0 111.465 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.1 p -116.85 130.89 24.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 120.994 -0.283 . . . . 10.0 110.814 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 129.41 34.69 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.671 2.247 . . . . 10.0 111.909 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.48 -42.96 79.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.215 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -62.71 -26.76 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.595 0.22 . . . . 10.0 111.595 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 16.6 mt -76.16 -39.14 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 10.0 110.005 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.43 -45.8 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.919 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 7.5 mt -63.78 -27.49 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.893 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -68.33 -51.88 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.103 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.11 -33.97 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.718 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -30.19 64.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.363 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 45.6 mt-30 -83.34 -12.06 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.019 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.87 -48.76 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.739 -0.209 . . . . 10.0 111.498 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 16.5 p -83.56 -36.01 24.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.498 ' NH2' ' HB2' ' B' ' 62' ' ' GLN . 5.1 mpt_? 62.94 27.79 16.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.104 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -161.12 124.39 3.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.689 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.56 -28.98 45.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.746 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.635 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 9.7 mt -92.73 -40.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.894 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 37.9 m -53.54 -56.02 20.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.026 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -31.65 72.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.442 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -67.27 -40.44 86.19 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -58.43 -43.57 88.77 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.228 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.88 -46.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.432 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -30.76 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.462 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.3 -50.84 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 10.0 110.479 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.83 38.94 0.28 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.62 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -96.94 -26.67 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.771 0.32 . . . . 10.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.84 132.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 10.0 109.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -66.98 120.73 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.75 156.44 89.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.374 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.65 92.71 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.67 2.247 . . . . 10.0 112.117 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -97.99 127.42 37.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.978 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.12 97.44 0.58 Allowed 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.655 2.237 . . . . 10.0 112.371 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.013 -0.994 . . . . 10.0 109.526 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.4 ptt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -105.0 133.49 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.448 . . . . 10.0 111.554 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.67 158.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.705 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -120.57 130.65 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.773 0.32 . . . . 10.0 110.773 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.41 133.48 59.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -104.79 140.52 37.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -114.19 161.7 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.086 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -72.09 -4.47 29.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.392 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.38 39.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.953 0.406 . . . . 10.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.07 43.52 16.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.401 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -128.47 123.54 33.89 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -87.09 128.85 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.521 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.0 mt -113.84 127.27 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -96.39 127.72 42.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.935 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.94 140.14 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 10.0 111.624 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -102.8 107.49 18.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.004 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 1' ' ' MET . 26.6 m -139.08 168.07 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.61 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -113.24 156.13 43.49 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.95 -26.02 56.28 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.816 2.344 . . . . 10.0 113.139 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 13.76 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.908 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -86.68 149.23 25.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.23 144.88 27.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.674 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -55.85 -43.89 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -34.27 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 10.0 110.681 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -70.88 -22.6 62.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.095 0.474 . . . . 10.0 110.466 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 22' ' ' THR . 94.0 t -77.03 -42.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.059 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.71 82.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.084 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.45 -34.38 75.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.68 -34.76 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.87 -36.09 82.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.964 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.42 -34.49 74.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -85.87 -50.92 6.74 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -93.29 -25.48 17.74 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.2 22.63 51.34 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.312 -0.946 . . . . 10.0 112.233 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -98.7 127.83 34.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.325 -0.25 . . . . 10.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.52 128.1 27.08 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.521 2.147 . . . . 10.0 112.153 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.97 -18.88 29.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.298 2.665 . . . . 10.0 112.814 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.524 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.38 15.66 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 10.0 110.801 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.64 121.94 44.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.044 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -116.51 131.11 57.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -106.66 116.11 31.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.147 0.499 . . . . 10.0 110.318 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.69 133.96 55.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -125.76 109.46 12.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.16 24.69 14.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.428 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.75 -7.27 60.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.819 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -100.02 131.29 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.735 -0.274 . . . . 10.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 130.46 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.64 144.32 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.744 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.7 mt-10 -87.75 143.9 26.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -63.75 -36.0 82.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 31.57 4.12 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.824 -0.703 . . . . 10.0 113.658 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 28.8 mmt180 -123.83 166.79 15.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.95 0.375 . . . . 10.0 110.218 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 24.1 p -107.27 172.53 6.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.783 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.32 -31.31 71.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.171 0.51 . . . . 10.0 110.127 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -21.09 65.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.166 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -63.45 -37.18 86.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -111.08 13.96 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.558 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.55 39.54 24.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.624 -0.717 . . . . 10.0 111.834 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -81.96 112.05 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -103.83 -166.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -71.61 161.33 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.385 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 64.02 15.9 9.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.792 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -89.79 147.33 23.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.84 0.352 . . . . 10.0 110.775 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -107.54 126.9 53.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.814 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.63 141.62 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -99.17 117.13 32.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.639 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.6 tp -94.05 100.81 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 10.0 110.192 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -94.47 132.66 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.9 mt -101.56 147.73 26.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.849 0.357 . . . . 10.0 110.365 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.31 141.27 51.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD11 ' CG1' ' C' ' 488' ' ' ILE . 6.5 mt -87.11 148.12 25.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.288 0.566 . . . . 10.0 112.076 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -126.17 52.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.172 -0.922 . . . . 10.0 108.957 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.17 -99.2 2.54 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.529 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.854 0 CA-C-O 118.507 -1.163 . . . . 10.0 113.017 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -111.47 136.09 51.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.791 0.329 . . . . 10.0 111.298 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.17 165.45 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.593 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' B' ' 66' ' ' THR . 55.2 m-85 -124.15 119.67 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.713 0.292 . . . . 10.0 110.955 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.27 121.36 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -106.2 125.91 51.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.994 0.426 . . . . 10.0 110.947 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -80.87 168.6 18.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.061 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.01 -20.49 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 10.0 110.815 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -19.56 43.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.329 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.29 8.56 30.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.494 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -80.39 122.59 27.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -99.06 114.99 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 10.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.12 128.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.788 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -93.77 123.51 37.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.7 mt -125.62 151.4 46.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 10.0 111.625 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.4 114.64 28.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.347 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -144.93 146.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.194 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -100.47 156.63 35.0 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.38 -29.32 47.7 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 122.697 2.265 . . . . 10.0 113.219 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -85.84 9.11 17.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.891 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -86.86 134.06 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.855 0.36 . . . . 10.0 110.357 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.28 148.43 32.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.52 -38.14 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.01 -41.32 78.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.799 0.333 . . . . 10.0 110.652 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.23 -36.71 82.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 10.0 110.141 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.4 t -64.31 -40.26 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.786 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -40.48 92.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.102 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.73 89.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.6 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.42 -39.07 93.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.329 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.3 mt -70.96 -40.49 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.167 0.508 . . . . 10.0 110.015 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.73 -38.91 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.156 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -0.81 16.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 10.0 112.01 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -123.28 -49.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.956 -0.298 . . . . 10.0 111.766 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.57 -10.65 45.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.2 74.35 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.107 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 123.94 37.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.335 -0.246 . . . . 10.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -57.98 138.75 87.57 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.472 2.114 . . . . 10.0 111.838 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.81 -21.24 47.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.087 2.525 . . . . 10.0 112.903 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -27.43 68.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.497 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.89 17.25 20.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.918 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -99.75 91.49 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.138 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 71.3 mtt180 -92.26 93.02 8.44 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.2 mt -85.23 114.72 22.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.492 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -120.58 129.18 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.317 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -120.82 116.76 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.346 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.25 24.54 13.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.729 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.81 70.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.727 -0.749 . . . . 10.0 112.844 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.529 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 47.2 mtmt -97.73 118.73 34.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.26 125.11 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 mt -86.21 120.25 27.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.269 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.88 148.99 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.293 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.17 44.24 3.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.808 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -142.06 153.88 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.0 p -101.55 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.253 -0.276 . . . . 10.0 110.253 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -72.49 -33.46 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.129 0.49 . . . . 10.0 110.261 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -23.6 64.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.948 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.34 -33.61 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.427 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -108.22 9.83 27.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.291 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 62.18 37.32 14.42 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.716 0.635 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 123.52 31.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.34 -167.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 10.0 111.459 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -73.55 147.28 44.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.283 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 68.08 17.08 9.49 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.702 -0.681 . . . . 10.0 112.066 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -68.86 131.11 44.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 10.0 110.212 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -98.29 123.87 42.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.33 138.49 40.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.431 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -95.0 127.61 41.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.0 107.61 18.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 10.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 11.3 t -103.74 143.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.157 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.7 mt -104.97 165.08 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.362 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -148.29 138.1 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.866 0.365 . . . . 10.0 110.56 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.2 mt -128.51 151.39 49.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.707 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -155.67 85.77 1.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.815 0.341 . . . . 10.0 110.634 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.28 24.25 73.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.996 -0.621 . . . . 10.0 111.939 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.033 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 -179.379 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.478 0.18 . . . . 10.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' C' ' 458' ' ' ASN . 2.9 m-20 70.74 25.5 4.01 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.141 0.576 . . . . 10.0 110.526 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -40.11 53.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -90.35 -34.81 15.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.757 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.74 -42.98 98.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' C' ' 454' ' ' ASN . 7.5 t-20 -63.25 -42.65 99.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.429 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 52.2 mtm -64.24 -40.39 95.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.9 96.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.85 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.53 -41.29 89.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.382 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.8 tp60 -64.04 -38.93 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.07 -36.65 76.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.508 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -61.7 -27.73 68.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 10.0 109.986 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.59 -26.55 45.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.532 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.483 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 53.8 mmm -86.9 -37.91 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.028 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.78 86.17 23.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' C' ' 467' ' ' MET . 5.7 Cg_exo -78.22 49.51 3.04 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.047 2.498 . . . . 10.0 112.593 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -165.11 35.87 0.06 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.058 0.456 . . . . 10.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 11.1 p -141.09 134.11 14.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.284 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.12 124.35 15.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 10.0 112.002 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -55.66 -39.15 70.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.628 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -62.81 -30.27 71.35 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.975 -0.29 . . . . 10.0 111.401 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 47.5 mt -75.41 -34.14 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.12 -40.86 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 93.6 mt -63.83 -31.53 72.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.304 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.1 -49.87 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 10.0 111.046 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.71 -38.1 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -31.72 67.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.599 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 72.7 mt-30 -78.41 -7.17 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.763 0.316 . . . . 10.0 111.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -112.68 -50.12 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.768 0.318 . . . . 10.0 111.296 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.0 p -83.26 -45.05 14.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.891 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 67.05 26.5 8.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.635 0.584 . . . . 10.0 111.19 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.4 t -149.62 128.85 12.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.051 0.453 . . . . 10.0 111.013 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.67 -25.82 38.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.832 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.32 -6.15 48.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.092 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.453 ' CG1' HD11 ' A' ' 73' ' ' LEU . 31.3 mt -113.47 -38.93 2.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -62.74 -56.48 17.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -31.3 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.082 0.468 . . . . 10.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.5 -53.59 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.37 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -49.77 -41.12 43.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.961 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.82 -44.18 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.619 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -29.55 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 10.0 110.573 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.04 -39.79 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.099 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.44 28.53 2.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.718 -0.753 . . . . 10.0 112.895 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -76.59 -37.42 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 10.0 110.016 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.55 127.68 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.546 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -64.9 125.21 24.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.155 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 23.4 m -83.4 161.67 56.11 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.861 -0.608 . . . . 10.0 109.901 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.98 90.32 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.441 2.094 . . . . 10.0 112.375 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -87.99 127.88 56.0 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.236 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.89 119.06 6.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.567 2.178 . . . . 10.0 112.072 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.086 -0.959 . . . . 10.0 109.364 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -103.48 133.09 49.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.248 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -121.81 160.88 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.919 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.0 m-85 -113.05 126.22 55.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.804 0.335 . . . . 10.0 110.749 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.61 118.93 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.829 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -97.21 127.13 42.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.089 0.471 . . . . 10.0 110.521 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.56 156.7 17.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.382 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -65.39 -6.83 11.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.14 10.99 37.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.029 0.442 . . . . 10.0 111.081 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 19.18 78.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 10.0 111.693 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 73.1 tttt -91.86 143.37 26.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.578 -0.311 . . . . 10.0 110.687 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -127.9 104.25 7.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.179 0.514 . . . . 10.0 110.234 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.3 135.02 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.159 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -110.22 118.1 35.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.62 152.36 39.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 111.806 -178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -92.17 118.36 30.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.337 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.09 -176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.836 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HD11 ' A' ' 56' ' ' LEU . 22.1 mm-40 -146.74 157.29 47.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 51.7 Cg_exo -53.48 -33.19 66.46 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.342 2.028 . . . . 10.0 112.531 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.82 53.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.013 -0.54 . . . . 10.0 112.202 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.09 136.19 35.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.379 . . . . 10.0 110.574 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.54 149.27 31.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.805 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 54' ' ' ARG . 51.3 mm -56.77 -33.76 41.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.19 0.519 . . . . 10.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.99 -44.28 94.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.392 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.36 -37.21 86.4 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.412 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 30' ' ' ILE . 61.1 t -59.97 -46.42 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.323 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -63.76 -34.34 77.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.26 93.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -35.67 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.099 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 26' ' ' VAL . 70.8 mt -66.6 -36.29 76.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.35 -31.72 69.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.233 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.63 -42.27 95.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -78.97 -66.01 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.387 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 34.9 mm-40 -70.2 -61.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.31 1.3 14.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.045 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.64 122.84 86.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.5 148.94 84.89 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 111.897 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.45 -20.17 39.37 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.765 2.31 . . . . 10.0 112.623 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.42 -18.56 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.149 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -117.79 13.29 14.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.419 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -107.3 96.93 6.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.674 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.8 103.74 13.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.422 -0.955 . . . . 10.0 108.422 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 44' ' ' ILE . 24.8 mt -83.79 136.0 34.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.121 0.486 . . . . 10.0 111.665 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.444 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -131.25 141.59 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 10.0 109.794 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -139.48 123.52 17.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.27 22.32 12.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.698 0.623 . . . . 10.0 112.093 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.05 17.15 44.69 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.657 -0.783 . . . . 10.0 113.692 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -138.83 153.61 48.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.211 0.506 . . . . 10.0 110.647 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.92 153.22 26.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.136 0.494 . . . . 10.0 111.781 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -107.7 147.67 30.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.042 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.2 mt-10 -94.93 143.91 26.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.69 0.281 . . . . 10.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -38.15 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.519 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.59 16.06 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.965 -0.636 . . . . 10.0 113.979 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 37.0 mmt180 -115.07 161.68 18.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.993 0.397 . . . . 10.0 110.043 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 p -106.71 166.4 10.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.505 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 18' ' ' GLU . 85.0 mt -66.45 -28.62 68.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.941 0.4 . . . . 10.0 110.617 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -21.11 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.177 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -62.9 -49.69 73.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 10.0 110.999 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -90.53 13.26 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.384 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 59.08 40.49 21.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.695 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.19 115.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.096 0.474 . . . . 10.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -102.79 -162.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.982 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 36.1 pttt -79.09 160.37 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 38.2 mt-10 73.2 -7.83 1.44 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.175 0.59 . . . . 10.0 111.752 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -64.46 138.77 58.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 10.0 111.11 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.1 m -105.2 117.34 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.497 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.59 149.39 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.622 . . . . 10.0 110.259 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.501 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 33.5 m80 -103.26 136.2 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.335 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 tp -115.29 109.45 17.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.9 t -90.81 129.24 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.792 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.45 137.36 32.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.888 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' HE ' ' CG ' ' C' ' 491' ' ' ASP . 3.6 ttm180 -131.72 108.75 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 10.0 110.619 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -73.14 -178.68 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.628 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.16 18.6 3.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.303 0.573 . . . . 10.0 110.177 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.81 87.1 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.469 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.534 ' C ' ' HZ3' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.854 0 CA-C-O 119.093 -0.837 . . . . 10.0 111.379 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -106.95 126.32 52.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.782 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.8 pt -114.37 160.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.968 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.02 118.87 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 111.139 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.08 127.18 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.751 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.11 127.29 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.057 0.456 . . . . 10.0 110.683 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -94.13 164.47 13.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.47 -23.42 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.4 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -22.03 57.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 10.0 110.936 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 29.92 6.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.659 -0.781 . . . . 10.0 112.54 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 82.6 tttt -104.44 132.4 50.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.55 107.08 19.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.833 0.349 . . . . 10.0 110.479 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -98.75 124.99 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.689 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -96.08 127.77 42.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.48 135.31 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.736 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.72 106.37 18.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.58 175.39 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.843 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.521 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -124.62 152.81 69.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.969 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.67 -25.55 68.47 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.473 2.116 . . . . 10.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -85.29 -1.76 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.932 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.13 155.69 30.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.713 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -94.24 148.45 22.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.915 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.19 -38.31 60.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.01 0.433 . . . . 10.0 110.382 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.32 -42.77 82.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.703 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -71.81 -31.33 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.198 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 22' ' ' THR . 84.6 t -61.25 -50.99 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.318 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -24.27 63.2 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.742 0.306 . . . . 10.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.44 83.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 10.0 109.716 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.94 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.9 mt -71.47 -34.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.36 -39.62 92.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.854 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -83.43 -60.34 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 33.1 mm-40 -85.16 -20.33 30.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -177.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.93 24.05 56.18 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.435 -0.888 . . . . 10.0 112.779 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -100.31 123.36 46.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 122.845 -0.209 . . . . 10.0 110.549 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.85 131.24 44.32 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.456 2.104 . . . . 10.0 111.639 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.9 -21.4 57.45 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.593 2.195 . . . . 10.0 112.589 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -17.44 61.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.223 0.535 . . . . 10.0 110.397 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.6 12.83 21.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.886 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -104.98 118.77 37.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.07 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -112.09 99.64 8.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -93.3 124.54 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.449 . . . . 10.0 110.952 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.42 134.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -132.53 121.28 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.266 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.65 21.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.921 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.28 90.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.465 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.534 ' HZ3' ' C ' ' A' ' 76' ' ' GLY . 33.6 mtmt -106.62 130.46 54.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -77.43 135.8 38.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -90.68 124.21 34.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.973 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -88.84 136.19 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.256 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.97 -39.89 66.38 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.94 16.55 11.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.978 -0.63 . . . . 10.0 114.445 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -121.26 165.26 15.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.808 0.804 . . . . 10.0 110.341 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 71.8 p -97.95 173.99 6.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.521 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -69.45 -40.13 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.449 . . . . 10.0 109.958 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 38.9 m -66.49 -20.13 65.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.977 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.4 OUTLIER -57.16 -40.16 76.71 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.936 0.398 . . . . 10.0 110.789 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -104.81 17.07 24.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.699 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 63.54 29.01 15.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.667 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -76.48 119.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.381 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -124.19 -155.81 0.68 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.516 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.04 157.29 37.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.592 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 65.18 17.11 10.9 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.923 -0.581 . . . . 10.0 112.423 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.2 m -85.56 135.99 33.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.983 0.42 . . . . 10.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -104.31 123.45 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.004 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -109.34 134.18 52.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.889 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -96.72 132.76 42.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -116.89 112.56 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.193 0.521 . . . . 10.0 111.557 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.28 129.68 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.786 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.34 151.74 34.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.071 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -127.28 88.22 2.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 mt -80.87 127.97 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.027 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -115.7 -55.09 2.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.204 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.11 101.82 0.25 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.268 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 119.094 -0.837 . . . . 10.0 111.274 179.422 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.415 0.15 . . . . 10.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.6 31.46 21.11 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.693 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.4 m -64.13 -42.99 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.558 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -66.65 -36.15 81.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.9 -41.9 86.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.19 -44.05 93.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.916 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.2 mtm -65.9 -39.11 90.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.422 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.17 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.537 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . 0.466 ' O ' ' HG3' ' C' ' 466' ' ' GLU . 13.1 t60 -61.58 -44.5 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.263 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -38.01 85.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.425 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 61.1 mt -70.24 -36.31 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.492 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -65.17 -27.64 68.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.064 0.459 . . . . 10.0 110.249 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' C' ' 462' ' ' HIS . 42.2 mt-10 -72.44 -21.66 61.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.398 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.501 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 1.3 mtm -97.88 -42.07 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 12.1 m-85 -118.99 93.28 46.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.24 12.42 3.02 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.646 2.231 . . . . 10.0 112.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.31 8.79 27.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.254 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 130.3 24.41 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.407 ' O ' HG23 ' C' ' 476' ' ' VAL . 53.1 Cg_exo -56.84 132.32 51.0 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.877 2.384 . . . . 10.0 112.853 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.41 -42.86 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.47 -25.11 67.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.432 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.08 -35.75 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 472' ' ' PRO . 39.7 t -65.64 -42.04 91.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.32 -30.72 69.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.801 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' C' ' 478' ' ' GLN . 4.8 tt0 -60.82 -46.23 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.467 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.62 -40.76 84.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.26 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.48 -31.08 69.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.418 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -76.76 -6.92 54.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.737 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -116.54 -54.28 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.644 0.259 . . . . 10.0 111.601 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 82.2 p -82.79 -39.94 21.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.738 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 63.61 33.72 13.03 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.525 0.515 . . . . 10.0 110.94 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 29.2 t -155.16 129.04 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.324 . . . . 10.0 111.113 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.72 -18.47 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.402 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.46 -18.3 61.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 10.0 110.545 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 10.8 mt -106.84 -42.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.773 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.3 m -56.85 -58.87 6.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.11 -35.22 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.534 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.462 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 4.2 t70 -71.17 -40.37 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -57.75 -40.63 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.284 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.84 -41.25 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.484 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.2 -44.27 80.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.596 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -71.01 -30.11 66.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 107.28 45.51 1.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.513 -0.851 . . . . 10.0 113.549 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -86.26 -33.31 20.73 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.55 137.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.855 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -66.66 135.67 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 10.0 111.052 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 13.4 m -95.73 155.1 38.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.11 104.05 0.69 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.422 2.081 . . . . 10.0 111.968 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -122.65 135.03 25.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.55 128.7 28.09 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.569 2.179 . . . . 10.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.303 -0.856 . . . . 10.0 109.395 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.785 0.326 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.46 131.9 54.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.855 0.36 . . . . 10.0 111.042 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -123.2 162.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 132.29 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 10.0 111.085 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -116.89 121.17 67.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.76 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -102.16 135.37 43.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.994 0.426 . . . . 10.0 110.672 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -103.5 172.29 6.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.049 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.3 -16.37 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.366 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -7.07 58.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 10.0 111.243 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.76 10.23 65.26 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.825 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.857 0.361 . . . . 10.0 110.322 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -104.58 126.36 51.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.197 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.05 156.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 122.38 46.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.525 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.9 mt -115.72 136.49 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.206 0.527 . . . . 10.0 112.189 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.09 108.95 20.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.089 -0.959 . . . . 10.0 108.992 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -138.08 -178.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.678 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD11 ' A' ' 56' ' ' LEU . 9.3 mm-40 -139.23 158.04 69.87 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -30.08 74.03 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.176 1.917 . . . . 10.0 112.679 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -1.46 55.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 10.0 112.094 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.77 147.66 39.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.812 0.339 . . . . 10.0 110.674 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 26' ' ' VAL . 1.5 p -93.84 150.19 20.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.236 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -58.92 -37.31 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.17 -42.92 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.171 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.09 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 10.0 110.162 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 22' ' ' THR . 58.3 t -62.35 -42.14 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.219 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.14 -35.66 81.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.565 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.54 78.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.329 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.31 -32.78 73.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.239 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.95 -34.18 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.248 0.546 . . . . 10.0 109.576 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.96 -26.83 63.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.836 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.81 -26.45 49.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -94.96 -57.23 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -88.71 -43.87 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.856 0.36 . . . . 10.0 111.22 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.38 34.09 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.465 -0.874 . . . . 10.0 112.053 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.31 124.5 85.85 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.185 . . . . 10.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.64 131.98 43.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.517 2.145 . . . . 10.0 111.965 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.92 -20.61 37.15 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.126 2.55 . . . . 10.0 112.655 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -32.86 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.328 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 18.27 19.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.796 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -96.26 107.45 19.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -111.17 103.13 11.53 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.18 112.23 21.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.003 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -102.33 133.68 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.577 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -133.85 121.9 22.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.415 -0.811 . . . . 10.0 108.886 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.43 12.59 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.537 0.523 . . . . 10.0 111.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.38 10.69 59.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.525 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -134.53 151.95 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.103 0.452 . . . . 10.0 110.459 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -83.26 145.46 29.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.181 0.515 . . . . 10.0 112.002 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.1 mt -95.33 148.23 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.4 mt-10 -93.22 145.08 24.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.861 0.363 . . . . 10.0 110.866 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -38.46 87.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.436 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.02 37.05 3.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.016 -0.611 . . . . 10.0 113.425 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 54.6 mmm-85 -132.59 160.77 35.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.964 0.382 . . . . 10.0 110.05 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.4 p -102.56 163.5 12.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.209 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' O ' ' A' ' 18' ' ' GLU . 67.7 mt -64.75 -32.98 74.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.769 0.318 . . . . 10.0 111.079 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 m -67.0 -21.6 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.141 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 15.7 m-20 -66.49 -25.39 66.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.115 0.484 . . . . 10.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.94 8.73 20.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.445 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.46 31.3 20.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.12 116.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.054 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.81 -165.76 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.23 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 42.1 pttt -71.81 153.52 41.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.184 -0.302 . . . . 10.0 110.184 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 35.9 mt-10 73.32 -3.67 2.4 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.202 0.601 . . . . 10.0 112.573 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -63.24 141.16 58.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 10.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -106.87 116.45 31.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.034 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.98 142.64 32.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.713 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -103.48 127.13 50.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.647 -0.252 . . . . 10.0 110.376 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.45 116.07 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 10.0 111.135 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -109.28 147.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.031 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.59 -171.63 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 10.0 110.801 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.535 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 17.2 ttt180 -161.51 136.37 7.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mp -141.22 87.19 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.131 0.491 . . . . 10.0 110.526 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -105.89 64.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 10.0 110.26 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.81 -104.85 0.4 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.101 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.451 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.477 -1.18 . . . . 10.0 111.77 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.626 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.7 ptt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -90.62 133.76 34.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.009 0.433 . . . . 10.0 111.196 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -120.56 159.24 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.889 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' B' ' 66' ' ' THR . 84.4 m-85 -115.91 106.94 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.989 0.423 . . . . 10.0 110.883 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.91 116.21 37.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.536 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.5 126.74 50.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.101 0.477 . . . . 10.0 111.192 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -95.11 164.73 12.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.405 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.95 -8.41 29.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.392 . . . . 10.0 111.218 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -1.77 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.018 0.437 . . . . 10.0 110.68 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.58 13.16 73.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.661 -0.78 . . . . 10.0 112.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 82.2 tttt -94.32 133.3 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.352 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -106.79 113.38 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.094 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.64 135.0 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 138.2 41.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -143.61 147.21 34.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 10.0 111.404 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -97.8 104.29 16.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.031 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.626 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -136.83 160.82 36.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.323 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.423 ' O ' HD12 ' B' ' 56' ' ' LEU . 16.0 mm-40 -115.3 158.9 40.11 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.09 -23.51 53.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 113.377 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.53 5.91 29.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.869 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.91 145.83 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.446 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.2 p -86.98 147.3 25.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.3 mm -54.9 -40.66 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 10.0 110.751 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.61 -44.27 93.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.53 -38.39 87.06 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.24 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.446 HG21 ' O ' ' B' ' 22' ' ' THR . 92.7 t -60.64 -44.95 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.752 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -65.36 -34.21 77.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.538 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.69 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.085 0.469 . . . . 10.0 109.913 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.31 -32.74 61.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.608 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 26' ' ' VAL . 65.8 mt -70.74 -36.88 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -63.03 -31.81 73.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.127 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.78 -35.46 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.172 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -85.39 -58.03 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 12.3 mm-40 -77.09 -39.28 50.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.31 -6.91 56.16 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.655 -0.783 . . . . 10.0 112.038 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.19 125.96 84.24 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.169 . . . . 10.0 110.618 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -55.43 147.52 56.97 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.944 2.429 . . . . 10.0 112.559 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -63.39 -19.31 67.85 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.944 2.429 . . . . 10.0 112.294 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -35.53 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.578 . . . . 10.0 110.113 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -91.26 1.83 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.13 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.11 113.97 25.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.892 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -114.76 100.54 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.0 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.1 mt -90.33 134.05 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.554 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.12 133.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -123.07 110.99 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.873 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.77 6.16 2.58 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.782 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.58 -15.22 9.17 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.709 -0.758 . . . . 10.0 111.921 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.451 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 12.9 mtmt -96.65 140.79 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -84.62 138.3 32.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.8 mt -85.59 133.33 34.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.529 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.469 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -94.22 142.77 27.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.486 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.81 -49.78 72.29 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.73 0.641 . . . . 10.0 112.73 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 36.51 2.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.033 -0.603 . . . . 10.0 114.524 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 48.7 mmm-85 -130.54 163.86 26.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.172 0.486 . . . . 10.0 109.834 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.4 162.3 13.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.842 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.423 HD12 ' O ' ' B' ' 18' ' ' GLU . 66.9 mt -65.91 -24.93 66.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.925 0.393 . . . . 10.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -72.58 -17.7 61.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.366 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -34.1 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 10.0 111.461 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.54 7.4 44.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.752 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 55.9 49.04 16.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -86.21 131.82 33.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.58 -171.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.253 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -78.1 156.33 30.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.293 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 62.01 22.86 13.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.862 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -84.79 140.19 31.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 59.1 m -97.78 122.15 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.956 0.408 . . . . 10.0 110.802 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.26 149.51 35.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.878 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -97.65 130.2 44.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.561 0.219 . . . . 10.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -112.48 110.39 20.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.279 0.561 . . . . 10.0 110.821 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -102.73 151.35 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.272 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt -97.58 157.51 15.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.371 . . . . 10.0 110.567 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -130.67 126.36 36.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.14 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -110.87 137.07 48.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.142 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -90.45 -31.19 16.92 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.98 64.75 0.84 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.553 -0.619 . . . . 10.0 111.553 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.136 -1.369 . . . . 10.0 111.329 -179.634 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.422 0.153 . . . . 10.0 111.181 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 67.72 23.1 8.74 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.892 0.477 . . . . 10.0 111.147 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -52.52 59.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 10.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.84 -40.13 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.571 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.38 -42.52 99.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.709 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.79 -46.84 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.93 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 37.2 mtm -62.24 -43.54 98.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -60.51 -42.1 95.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -65.74 -43.07 90.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.851 0.358 . . . . 10.0 110.654 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.07 -33.81 60.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.538 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -62.38 -31.45 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.919 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -72.08 -36.06 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 10.0 110.394 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 5.7 mmm -74.77 -43.98 52.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.237 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -126.66 90.57 49.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.69 3.37 7.86 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.759 2.306 . . . . 10.0 112.591 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -94.36 -4.46 48.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.719 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.63 127.07 27.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.653 0.263 . . . . 10.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.59 141.77 62.28 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.153 2.569 . . . . 10.0 113.222 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.47 -40.53 82.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.685 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -66.31 -26.89 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.294 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.85 -38.94 57.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.946 -0.391 . . . . 10.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.45 -41.7 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.71 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 35.7 mt -64.63 -26.01 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.006 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.78 -49.45 68.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.884 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.77 -34.44 73.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 10.0 110.316 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -28.24 64.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.417 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 73.7 mt-30 -83.41 -7.6 59.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.283 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.87 -56.42 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 10.0 110.706 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.1 p -77.55 -45.61 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.673 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 67.16 26.11 8.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.193 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 21.7 t -147.95 115.54 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.518 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.5 m -56.31 -32.33 35.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.961 0.41 . . . . 10.0 111.738 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.43 -37.43 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.725 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.42 -29.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.374 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 92.4 m -61.84 -59.49 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.476 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -30.6 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.242 0.544 . . . . 10.0 110.061 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.535 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 39.1 t0 -66.48 -47.25 73.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.417 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -57.04 -36.55 70.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.814 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.82 -45.19 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.71 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -39.62 80.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.728 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 49.9 mm-40 -66.73 -43.13 85.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.981 0.419 . . . . 10.0 110.562 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 119.87 41.54 0.56 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.106 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -91.93 -52.29 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.5 mp -84.14 132.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.87 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -72.14 133.64 45.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 34.6 m -80.02 165.86 44.3 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.374 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 52.0 Cg_exo -54.62 110.68 0.56 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.412 2.075 . . . . 10.0 112.251 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -109.47 129.13 24.27 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.731 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.8 90.58 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.517 2.144 . . . . 10.0 112.047 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.567 -0.73 . . . . 10.0 109.899 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -102.77 135.5 44.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.893 0.378 . . . . 10.0 111.047 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.51 161.77 18.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.337 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' THR . 73.3 m-85 -113.27 131.94 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.73 120.25 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.737 0.303 . . . . 10.0 110.794 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.88 139.42 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.092 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -123.21 159.68 28.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.73 -15.26 63.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.088 0.47 . . . . 10.0 110.854 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -5.43 59.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.04 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.57 31.7 44.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.979 -0.629 . . . . 10.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -114.53 107.85 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.283 -0.265 . . . . 10.0 110.283 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.42 104.44 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.838 0.352 . . . . 10.0 110.643 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -87.44 134.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.09 123.06 48.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -130.09 155.18 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.087 0.47 . . . . 10.0 111.865 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -93.29 116.5 29.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.697 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -134.09 167.66 25.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 56' ' ' LEU . 41.0 mm-40 -121.48 157.67 55.76 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.03 -39.22 92.01 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.102 1.868 . . . . 10.0 112.047 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.69 5.54 24.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.95 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.57 143.76 44.3 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.2 p -89.89 151.51 21.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.01 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -60.82 -33.78 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 10.0 109.903 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.76 -44.65 96.49 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.008 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -63.3 -36.87 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.959 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 22' ' ' THR . 90.1 t -62.91 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.81 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 89.6 mttt -63.13 -39.53 94.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.395 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.164 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.91 -42.74 89.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.041 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 26' ' ' VAL . 67.8 mt -64.9 -34.99 74.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.303 0.573 . . . . 10.0 109.475 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.85 -31.77 71.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.924 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -81.16 -22.2 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.361 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -93.94 -54.42 3.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.817 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -84.75 -44.03 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 10.0 111.285 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -24.76 9.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.366 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.45 123.39 82.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 122.318 0.247 . . . . 10.0 111.264 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.46 148.69 90.74 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.569 2.179 . . . . 10.0 112.205 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.07 -23.32 43.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.222 2.615 . . . . 10.0 112.884 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.53 -29.57 64.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.709 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.54 21.93 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.754 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -106.43 100.15 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -97.98 96.73 8.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.19 126.51 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.379 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -122.45 139.63 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HB3' HD21 ' A' ' 50' ' ' LEU . 62.5 t80 -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 19.94 10.57 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.615 0.572 . . . . 10.0 111.567 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.27 63.15 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.748 -0.739 . . . . 10.0 113.751 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -134.73 152.32 51.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.181 0.49 . . . . 10.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -77.53 151.33 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.3 mt -103.09 141.83 35.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.896 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 64.7 mt-10 -82.74 144.04 30.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.49 ' CG ' ' HZ1' ' A' ' 27' ' ' LYS . 6.9 m-20 -68.99 -30.82 69.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.304 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.99 7.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.122 -0.561 . . . . 10.0 113.266 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -128.32 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.118 -0.327 . . . . 10.0 110.118 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -109.02 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.529 HD11 ' O ' ' A' ' 18' ' ' GLU . 64.5 mt -65.91 -36.62 83.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 m -65.82 -25.79 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.605 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.84 -34.44 77.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.173 0.511 . . . . 10.0 110.195 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -100.79 10.76 40.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.424 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.65 34.43 20.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.75 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.18 124.28 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.189 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -112.24 -164.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.05 154.13 40.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.769 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 67.63 14.73 9.61 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.803 0.689 . . . . 10.0 112.39 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -82.5 148.7 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.799 0.333 . . . . 10.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.3 m -111.49 122.52 48.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.764 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.29 156.84 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -107.7 127.39 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.71 -0.223 . . . . 10.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -107.67 100.53 9.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 10.0 110.153 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.5 t -88.96 136.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.778 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.72 175.91 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.455 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -156.49 144.63 19.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.211 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.53 160.96 15.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.935 0.397 . . . . 10.0 111.27 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -129.34 130.39 46.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.384 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -69.59 2.88 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.113 -0.565 . . . . 10.0 112.922 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.867 0 CA-C-O 118.412 -1.216 . . . . 10.0 112.858 -179.302 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.412 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -104.99 135.0 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.065 0.459 . . . . 10.0 111.664 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -118.32 152.45 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.87 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -104.41 121.56 43.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.647 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.52 118.41 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -105.32 134.49 48.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.885 0.374 . . . . 10.0 110.695 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -102.29 173.23 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.98 -8.09 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.21 -4.2 46.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 10.0 110.969 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.44 -12.88 67.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.55 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.449 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 86.9 tttt -66.01 126.04 27.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.802 0.335 . . . . 10.0 110.412 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -116.23 111.55 20.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.85 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.48 152.51 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.096 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.81 127.7 56.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.012 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.6 148.53 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.009 -0.277 . . . . 10.0 111.339 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.06 120.54 31.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.759 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -142.92 -177.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -146.69 159.96 42.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.712 -0.848 . . . . 10.0 108.712 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.64 -48.66 15.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.485 2.123 . . . . 10.0 112.228 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -82.61 63.43 6.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 10.0 111.181 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -138.58 123.46 18.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.433 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.8 141.51 51.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.333 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.4 -38.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.601 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.63 -38.62 81.85 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.396 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.17 -36.4 79.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.905 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.43 -39.22 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.927 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -62.41 -34.19 76.26 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.312 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.61 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.195 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.52 -36.18 83.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.02 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.67 -40.96 71.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.24 -42.26 94.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.37 -20.88 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.978 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -103.72 -57.63 2.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.449 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 74.2 mm-40 -82.92 -13.75 55.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 27.21 71.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -103.61 122.74 43.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.54 139.83 88.39 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.584 2.189 . . . . 10.0 111.988 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.24 -20.54 55.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.728 2.285 . . . . 10.0 112.225 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -17.47 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.53 11.11 19.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.951 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.9 106.59 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.37 94.28 4.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 mt -84.73 120.72 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.414 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -119.76 131.72 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.915 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -130.57 127.58 39.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.37 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 27.42 16.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.747 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.94 6.65 86.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.048 -0.596 . . . . 10.0 113.07 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -123.44 140.42 53.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.351 . . . . 10.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.61 137.02 35.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.184 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -89.93 138.52 31.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.629 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.449 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -87.89 146.76 25.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.002 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.81 -31.8 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.309 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.37 32.31 5.56 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.956 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.449 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 30.1 mmt180 -126.04 158.34 35.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 10.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 162.54 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.087 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.28 -37.4 87.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 10.0 111.256 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -15.36 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.49 -32.12 70.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.284 0.564 . . . . 10.0 110.104 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.431 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.4 m-85 -103.37 11.26 36.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.082 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' C' ' 484' ' ' ARG . 59.5 t30 60.94 39.32 16.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.554 0.692 . . . . 10.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.431 HG13 ' HB2' ' B' ' 59' ' ' TYR . 67.3 mt -86.82 103.31 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.577 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.419 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 4.5 tt0 -94.89 -168.79 1.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.543 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 1.0 OUTLIER -72.3 161.12 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 32.5 mt-10 71.5 8.74 6.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.047 0.539 . . . . 10.0 111.907 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.7 m -82.02 144.11 31.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.273 -0.269 . . . . 10.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -108.04 122.8 47.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.26 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.75 134.97 49.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.288 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -94.64 122.25 37.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.756 0.312 . . . . 10.0 110.74 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 tp -101.05 106.18 17.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -98.24 140.85 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.614 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.0 mt -84.82 171.68 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.983 0.421 . . . . 10.0 111.137 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.89 105.15 3.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.346 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.2 155.7 18.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.422 ' HA ' ' NE ' ' B' ' 74' ' ' ARG . 3.9 mmp_? -129.07 -12.18 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.996 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.28 11.69 10.49 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.503 -0.856 . . . . 10.0 113.104 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 119.125 -0.82 . . . . 10.0 111.425 179.674 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.384 0.135 . . . . 10.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 68.96 20.12 7.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.551 0.532 . . . . 10.0 110.808 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -59.53 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.498 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.57 -30.99 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.581 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.84 -45.79 87.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.996 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -64.82 -41.59 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.215 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.69 88.25 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.717 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.5 mtm -67.52 -40.46 85.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.489 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.78 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.71 -41.23 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.022 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' C' ' 467' ' ' MET . 26.4 tp60 -64.97 -41.39 95.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.315 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.96 -33.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.32 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -64.95 -29.44 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.146 0.498 . . . . 10.0 109.944 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -78.23 -14.01 59.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.23 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.426 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 87.9 mmm -96.18 -37.06 10.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.1 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -132.94 83.1 53.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.693 179.276 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.2 41.69 0.9 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.928 2.419 . . . . 10.0 112.655 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -137.32 -19.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.64 130.91 35.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.494 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.54 130.17 35.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.787 2.325 . . . . 10.0 112.742 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -51.29 -41.97 60.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 10.0 112.288 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -66.46 -30.97 71.43 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.39 -34.24 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.8 -43.88 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.758 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.29 -26.48 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.406 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -65.13 -53.52 43.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.6 -26.78 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.216 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -29.92 66.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -88.77 -6.18 57.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.91 -61.09 1.43 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.14 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.8 p -77.92 -39.24 43.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.022 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.415 ' HB2' ' ND2' ' B' ' 60' ' ' ASN . 7.3 mtt180 57.48 37.77 27.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.321 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -157.18 116.52 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.073 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.79 -23.77 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 10.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.13 -21.69 62.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 19.1 mt -107.43 -40.19 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.247 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.44 ' O ' HG13 ' C' ' 493' ' ' ILE . 21.1 m -56.03 -64.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.902 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -36.05 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.758 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 11.0 t70 -66.54 -54.75 20.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.115 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -16.77 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.475 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.44 HG13 ' O ' ' C' ' 489' ' ' THR . 18.0 mt -65.61 -42.03 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.79 -35.66 75.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.269 -0.878 . . . . 10.0 110.265 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.75 -36.7 83.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.568 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.69 30.45 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.77 -0.729 . . . . 10.0 112.898 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -70.08 -46.36 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.248 0.547 . . . . 10.0 109.635 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.8 129.21 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -66.93 119.5 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.152 0.501 . . . . 10.0 110.809 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.13 160.99 81.23 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.44 105.12 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.544 2.162 . . . . 10.0 112.147 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -99.29 139.93 21.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.667 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.88 85.15 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.4 0 C-N-CA 122.681 2.254 . . . . 10.0 112.316 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.327 -0.844 . . . . 10.0 109.506 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -116.28 133.69 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -122.97 160.05 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.177 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' THR . 94.9 m-85 -115.43 129.28 56.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.14 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.3 126.43 74.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -111.4 133.98 53.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 10.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -98.41 171.32 8.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.815 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.7 -14.5 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.148 0.499 . . . . 10.0 110.573 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -8.58 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.686 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.05 17.06 59.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.063 -0.589 . . . . 10.0 113.001 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -95.02 129.64 42.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.928 0.364 . . . . 10.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.16 121.43 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.441 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.57 131.3 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.46 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.8 114.86 27.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.242 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -117.63 147.03 43.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.061 0.457 . . . . 10.0 112.007 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -101.16 119.47 38.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.226 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -143.55 165.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.067 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 26.6 mm-40 -119.5 159.87 44.18 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.4 -27.53 49.37 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.542 2.161 . . . . 10.0 113.18 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.98 1.3 53.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -73.4 128.49 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 10.0 110.776 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.58 145.53 34.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.439 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.16 -38.65 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.984 0.421 . . . . 10.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.69 -39.25 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 10.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -68.64 -37.8 79.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 22' ' ' THR . 99.2 t -62.31 -42.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.186 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -63.33 -32.99 74.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.555 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.19 80.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.79 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.27 -32.5 73.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.667 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.8 mt -72.3 -44.97 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.785 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -59.73 -34.59 73.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.127 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.62 -26.45 68.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.425 . . . . 10.0 112.051 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.93 -46.97 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.52 -34.94 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.399 . . . . 10.0 111.84 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.51 -24.96 28.27 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.014 -0.613 . . . . 10.0 111.819 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.57 122.9 64.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 122.712 0.405 . . . . 10.0 111.076 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.77 136.71 77.15 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.605 2.204 . . . . 10.0 112.271 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.0 -22.71 56.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.908 2.405 . . . . 10.0 112.662 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.58 -22.11 63.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.41 0.624 . . . . 10.0 110.831 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -104.92 8.6 34.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.289 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.16 115.24 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.263 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -112.03 99.15 7.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.29 119.98 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.923 0.392 . . . . 10.0 110.827 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.96 141.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -139.83 117.36 11.45 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.97 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 6.62 88.09 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.856 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -115.02 143.64 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.244 0.522 . . . . 10.0 110.779 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -88.56 131.03 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.912 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.38 143.56 27.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.9 mt-10 -94.14 149.7 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.708 0.289 . . . . 10.0 110.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -42.89 99.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.76 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 45.28 3.34 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.754 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 29.6 mmt180 -138.4 165.62 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -111.97 170.37 8.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.811 0.339 . . . . 10.0 110.606 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.79 -34.47 78.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.913 0.387 . . . . 10.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m -64.54 -26.98 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.361 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.42 -25.38 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.01 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -111.16 10.57 21.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.735 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.99 27.91 17.75 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.379 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.77 125.86 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.796 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -134.23 -153.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.304 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -68.72 155.56 39.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.271 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 67.72 4.57 3.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.901 -0.591 . . . . 10.0 112.479 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -85.59 130.7 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -101.7 118.48 37.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.16 146.2 24.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.114 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.539 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 29.2 m80 -105.59 151.97 23.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.419 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.45 117.88 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.371 0.605 . . . . 10.0 111.914 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.63 145.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.306 -0.861 . . . . 10.0 109.485 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.05 -174.91 2.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.783 0.325 . . . . 10.0 110.891 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 12.4 ttt180 -149.52 149.98 31.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.786 -0.449 . . . . 10.0 109.786 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.4 97.89 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.372 . . . . 10.0 111.332 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.587 ' NH2' ' HG3' ' C' ' 495' ' ' GLU . 68.3 mmt-85 -130.65 31.48 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.097 0.475 . . . . 10.0 110.486 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.15 45.16 0.91 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.188 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.808 -0.996 . . . . 10.0 111.477 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -103.31 141.02 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.986 0.422 . . . . 10.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.35 159.94 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.779 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -117.79 115.16 24.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.852 0.358 . . . . 10.0 111.091 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -103.34 114.93 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -103.3 124.36 48.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.15 0.5 . . . . 10.0 110.868 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.77 165.6 14.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.329 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.96 -20.39 57.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.218 -0.446 . . . . 10.0 112.002 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.5 p -83.83 -5.1 59.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.101 0.477 . . . . 10.0 111.025 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.27 -11.54 65.39 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.614 -0.594 . . . . 10.0 111.614 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.66 127.09 30.25 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.869 0.366 . . . . 10.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -114.28 107.8 16.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.285 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.45 133.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.912 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -99.67 120.34 39.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.303 -0.628 . . . . 10.0 109.303 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.45 156.51 33.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 10.0 111.594 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -101.59 120.18 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.219 -0.9 . . . . 10.0 110.102 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.3 m -139.41 173.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 56' ' ' LEU . 47.5 mm-40 -125.76 157.92 67.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.54 -31.14 77.4 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.572 2.182 . . . . 10.0 113.244 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.28 9.72 27.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.925 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.95 138.81 39.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.72 -0.392 . . . . 10.0 110.03 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.404 ' O ' HG21 ' B' ' 26' ' ' VAL . 2.0 m -86.93 143.29 27.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.677 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.512 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 46.5 mm -53.08 -42.19 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.539 -0.3 . . . . 10.0 111.249 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -40.52 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.623 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.1 -35.33 76.34 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.994 0.426 . . . . 10.0 109.898 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.404 HG21 ' O ' ' B' ' 22' ' ' THR . 56.9 t -62.9 -43.59 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 23.6 mtpt -61.72 -39.2 90.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.29 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.59 -41.9 98.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.47 -39.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.244 0.545 . . . . 10.0 109.852 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.28 -37.24 86.46 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.483 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.91 -20.78 61.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.788 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -91.77 -64.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.762 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -80.54 -31.12 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 112.161 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.57 -7.64 59.7 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.863 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.89 122.18 86.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.509 -0.182 . . . . 10.0 110.509 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -55.34 140.71 82.18 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.075 2.517 . . . . 10.0 112.883 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 25.2 Cg_exo -62.52 -22.59 74.19 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.077 2.518 . . . . 10.0 113.117 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.17 -21.92 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 10.0 110.655 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -101.29 -3.94 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.346 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -89.44 120.23 30.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.64 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -121.91 95.5 4.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 mt -82.03 131.19 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.577 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -126.32 131.25 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -128.35 120.58 27.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.622 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 28.48 17.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.735 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.33 80.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.827 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -108.37 128.58 54.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.667 0.234 . . . . 10.0 110.448 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.15 134.03 40.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -82.37 130.29 35.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.909 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -89.15 135.37 33.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.91 0.386 . . . . 10.0 109.978 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -47.74 19.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.363 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 37.14 2.84 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.663 -0.78 . . . . 10.0 114.343 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.46 ' O ' HG12 ' B' ' 23' ' ' ILE . 54.6 mmt-85 -130.31 166.03 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.339 0.57 . . . . 10.0 110.031 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.1 p -104.89 175.72 5.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.743 0.306 . . . . 10.0 110.203 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.8 mt -70.63 -32.75 70.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.152 0.501 . . . . 10.0 110.206 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.3 m -72.8 -15.32 61.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.726 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.7 m-20 -70.22 -26.7 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.063 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.62 13.93 15.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.213 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 62.1 39.64 12.78 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.408 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.58 90.61 2.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.164 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -79.94 -177.83 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.2 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -71.04 156.71 39.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.056 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.83 12.93 8.71 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.216 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.1 m -83.17 147.1 28.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.718 0.294 . . . . 10.0 110.226 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.6 m -103.81 129.39 51.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 10.0 111.052 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mp -113.28 144.98 41.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.704 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -97.78 125.17 42.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.373 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -102.71 104.62 14.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 10.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -96.9 133.01 40.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.708 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.28 121.87 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.045 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -105.12 112.4 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.875 0.369 . . . . 10.0 110.799 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -90.62 141.22 29.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.402 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -136.22 120.88 18.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.085 0.469 . . . . 10.0 111.052 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.17 109.49 0.56 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.613 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.216 0 CA-C-O 118.517 -1.157 . . . . 10.0 111.595 -179.644 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.532 0.206 . . . . 10.0 110.818 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.34 30.55 17.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.618 0.367 . . . . 10.0 111.542 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.2 m -59.85 -58.3 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.689 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -58.72 -38.87 79.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.889 0.376 . . . . 10.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.62 -44.95 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.044 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.06 -43.39 98.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -44.83 87.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.822 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.8 mtm -62.71 -43.03 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.822 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.98 97.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.806 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -38.19 90.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.652 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -64.28 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 10.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -71.62 -38.51 67.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.916 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.67 -34.46 72.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.115 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.24 -37.36 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.539 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 14.6 mtm -79.49 -39.98 30.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.903 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.416 ' O ' HG13 ' C' ' 471' ' ' VAL . 27.9 m-85 -120.49 80.31 30.16 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.54 39.19 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.405 2.07 . . . . 10.0 111.891 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -142.38 15.37 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.895 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.416 HG13 ' O ' ' C' ' 468' ' ' PHE . 8.6 p -124.9 132.7 24.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.157 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.12 129.27 32.56 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 10.0 112.783 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.83 -41.61 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -66.07 -27.72 68.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.1 mt -72.96 -39.67 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.05 -47.58 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.21 -29.82 71.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.46 -51.73 47.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.291 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.64 -34.09 77.08 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.5 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -24.29 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.139 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -91.41 -14.83 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 10.0 110.729 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.57 -52.17 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.116 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 28.4 p -82.24 -34.16 28.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.951 0.405 . . . . 10.0 110.673 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.69 19.62 10.76 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.253 -0.885 . . . . 10.0 111.79 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -154.6 134.73 13.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.012 0.435 . . . . 10.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.64 -15.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.128 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -75.3 -21.44 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.374 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -32.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 10.0 110.956 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 34.9 m -57.93 -51.76 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 10.0 110.877 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 14.7 p -72.08 -33.68 68.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 10.0 110.671 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 56.8 t0 -63.38 -61.34 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.289 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 75.3 m-20 -52.39 -28.27 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.366 -0.834 . . . . 10.0 112.808 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.72 -43.19 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.06 65.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 10.0 110.371 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.587 ' HG3' ' NH2' ' A' ' 74' ' ' ARG . 4.5 mm-40 -82.14 -56.18 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.303 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.57 40.19 0.33 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.868 -0.605 . . . . 10.0 112.203 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 9.9 tpp180 -100.25 -23.21 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.53 . . . . 10.0 110.403 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.52 139.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.175 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.27 113.24 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.795 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.1 m -80.08 158.71 72.0 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.459 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.82 98.95 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.536 2.158 . . . . 10.0 112.385 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.17 135.43 21.76 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.583 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.95 98.51 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.582 2.188 . . . . 10.0 112.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.205 -0.902 . . . . 10.0 109.735 -179.382 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -96.39 133.93 40.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.384 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -124.94 155.99 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.686 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.69 113.34 24.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.048 0.452 . . . . 10.0 111.14 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -96.1 125.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -100.59 137.68 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.506 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -109.16 165.98 11.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.5 mt -73.35 -2.78 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 10.0 111.235 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -2.09 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 10.0 110.831 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.16 -0.36 78.44 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.98 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -82.67 133.27 35.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.736 -0.273 . . . . 10.0 110.499 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.39 133.7 49.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.201 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.31 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.45 119.8 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -116.96 135.83 53.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.12 0.486 . . . . 10.0 111.7 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.85 107.47 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.049 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.61 172.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.471 . . . . 10.0 111.693 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' O ' HD11 ' A' ' 56' ' ' LEU . 74.3 mm-40 -118.25 158.04 47.5 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.58 -24.6 78.74 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 121.77 1.647 . . . . 10.0 111.315 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -4.88 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.962 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -71.81 145.0 48.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.62 150.89 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.172 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.89 -32.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.245 0.545 . . . . 10.0 110.153 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.59 -46.58 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.49 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.93 -33.23 73.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.73 -43.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.065 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -62.81 -34.44 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.151 0.5 . . . . 10.0 110.401 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.36 -40.53 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.074 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -64.62 -33.03 74.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.206 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.84 -46.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -67.17 -28.54 68.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.44 -37.78 73.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.506 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -106.22 -42.42 5.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -85.55 -36.72 20.28 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.662 0.615 . . . . 10.0 112.662 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.42 58.03 2.82 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.027 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -124.15 128.31 25.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.98 125.62 19.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.839 2.359 . . . . 10.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 -20.33 53.75 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.899 2.4 . . . . 10.0 112.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.67 -24.19 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.192 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -106.22 15.85 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.181 0.515 . . . . 10.0 110.757 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -102.37 93.55 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -96.14 96.24 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 133.46 35.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.101 0.476 . . . . 10.0 111.099 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.17 144.42 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.259 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -137.21 114.4 10.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.38 18.58 10.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.733 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 19.86 26.73 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.78 -0.724 . . . . 10.0 113.324 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -137.25 146.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 154.89 38.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.019 0.438 . . . . 10.0 111.484 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.47 130.91 54.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.778 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 mt-10 -83.14 145.63 29.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 10.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.79 -34.58 78.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.357 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.67 41.03 3.05 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.858 -0.687 . . . . 10.0 113.016 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.2 mmt180 -137.12 159.3 42.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 174.48 6.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.0 mt -69.79 -30.27 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 10.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -24.05 62.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.799 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.67 -26.12 68.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.711 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -114.13 15.16 18.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.716 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 56.74 47.69 17.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.313 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -97.43 106.1 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.356 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -97.33 -165.52 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.526 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 48.5 pttt -75.58 152.5 37.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 64.88 20.2 12.05 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.15 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -87.81 153.91 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.1 m -97.58 124.68 41.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 10.0 111.29 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.59 130.97 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.58 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -93.79 132.69 37.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.381 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -119.49 114.83 22.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.038 0.447 . . . . 10.0 111.028 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.33 137.54 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.642 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 14.1 mt -100.46 157.81 16.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.46 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.2 OUTLIER -128.3 144.01 51.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.473 HD11 ' CG1' ' C' ' 488' ' ' ILE . 62.2 mt -121.02 -174.1 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.569 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -113.51 -49.4 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.088 0.47 . . . . 10.0 109.851 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.8 113.24 0.38 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.611 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.242 0.598 0 CA-C-O 118.057 -1.413 . . . . 10.0 111.482 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -113.02 146.34 39.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.815 0.34 . . . . 10.0 110.999 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -130.5 158.35 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.096 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' B' ' 66' ' ' THR . 96.6 m-85 -112.24 106.45 15.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.943 0.401 . . . . 10.0 110.742 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.5 t -97.44 118.26 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -102.1 135.4 43.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.817 0.341 . . . . 10.0 110.711 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -103.3 168.13 9.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.12 -22.2 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.058 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -10.56 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.658 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.2 62.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.202 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -91.86 125.42 36.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.632 0.254 . . . . 10.0 110.343 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.57 124.33 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.912 0.387 . . . . 10.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -107.65 126.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.366 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.87 108.84 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.19 143.89 39.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.427 0.632 . . . . 10.0 112.24 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -92.28 117.85 30.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.748 -1.115 . . . . 10.0 109.319 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.75 173.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.036 0.446 . . . . 10.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' B' ' 56' ' ' LEU . 32.5 mm-40 -129.98 154.67 81.23 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.68 -30.15 64.94 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.358 2.038 . . . . 10.0 112.575 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -2.07 51.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.18 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -75.7 135.47 40.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' B' ' 25' ' ' ASN . 0.2 OUTLIER -77.19 153.7 33.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.495 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.7 mm -58.54 -40.64 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 10.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.12 -29.06 70.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.198 0.523 . . . . 10.0 110.05 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' B' ' 22' ' ' THR . 11.9 m-20 -66.01 -41.95 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.46 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.416 ' O ' HG13 ' B' ' 30' ' ' ILE . 20.5 t -62.62 -39.19 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.525 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.521 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 93.6 mttt -61.01 -42.48 98.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.379 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.32 94.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.501 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.29 -35.89 82.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.271 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 26' ' ' VAL . 83.6 mt -72.36 -37.09 57.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.238 0.542 . . . . 10.0 109.663 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.25 -44.7 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -4.82 50.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.502 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -99.68 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.582 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.28 -12.96 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.24 71.1 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.532 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -84.98 126.44 67.93 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.603 -0.147 . . . . 10.0 110.603 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.472 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 48.7 Cg_exo -55.2 133.49 58.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.516 2.144 . . . . 10.0 111.564 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.35 -18.56 63.42 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.82 2.347 . . . . 10.0 112.881 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.97 -42.33 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.46 18.52 4.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.348 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.2 mt-30 -99.79 105.04 16.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.913 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -104.53 100.11 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 mt -91.68 116.63 29.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.962 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -113.48 128.85 70.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.045 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -112.53 95.18 5.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.351 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.61 35.53 24.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.641 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.83 -19.51 54.31 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.106 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.611 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 31.1 mtmt -86.61 114.68 23.53 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.3 130.74 42.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.1 mt -88.26 116.03 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 10.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 26.2 mt-10 -85.53 132.96 34.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.189 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.521 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 1.5 m-20 -46.64 -36.99 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 28.6 5.75 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.906 -0.664 . . . . 10.0 114.635 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.42 ' O ' HG12 ' B' ' 23' ' ' ILE . 15.5 mmt180 -127.85 165.74 19.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.548 0.674 . . . . 10.0 110.274 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -103.86 168.71 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.763 -0.458 . . . . 10.0 109.763 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -66.56 -33.46 75.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.956 0.407 . . . . 10.0 110.453 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -71.23 -11.62 61.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.662 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.04 -27.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.802 0.335 . . . . 10.0 111.259 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.406 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.2 m-85 -107.94 14.12 25.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.64 28.88 13.16 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.068 0.855 . . . . 10.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' B' ' 59' ' ' TYR . 73.8 mt -78.25 120.27 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.2 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.29 -163.29 0.85 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.154 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -74.76 149.87 39.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.791 -0.364 . . . . 10.0 111.377 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 68.25 23.0 7.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.047 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -81.37 152.25 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.1 m -107.68 126.35 52.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 10.0 111.254 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -113.68 136.12 53.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.187 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -95.48 115.42 27.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.284 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.18 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.245 0.545 . . . . 10.0 110.723 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.04 128.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.187 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.32 126.76 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.187 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -108.47 102.65 11.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 10.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.3 mt -104.54 145.44 30.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -97.59 130.34 44.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.911 0.386 . . . . 10.0 111.074 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.09 -43.72 0.39 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.05 -0.82 . . . . 10.0 111.05 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 CA-C-O 118.396 -1.225 . . . . 10.0 111.404 179.369 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.496 -0.187 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.23 28.19 17.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.2 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 2.1 m -60.93 -51.41 69.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -70.68 -35.31 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.366 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.53 -45.33 93.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -68.66 -39.93 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.596 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 10.0 110.457 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.23 -43.35 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.355 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.703 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -59.5 -45.8 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.123 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -63.47 -34.32 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.153 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.03 -41.96 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.073 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.56 -26.47 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.513 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.27 -23.31 51.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.43 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 20.1 mmt -88.64 -38.76 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.873 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.83 78.42 15.91 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.01 63.02 8.66 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.476 2.118 . . . . 10.0 112.469 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -169.58 24.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.703 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.83 136.19 21.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.25 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.52 121.19 9.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.725 2.283 . . . . 10.0 112.517 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -56.57 -37.6 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.623 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -64.22 -27.28 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.979 -0.289 . . . . 10.0 111.307 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 67.8 mt -79.43 -34.4 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.72 -42.94 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.35 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 11.7 mt -66.15 -25.15 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.693 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -69.35 -48.09 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.03 -35.8 81.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.178 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.6 mt-30 -85.69 -7.68 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 10.0 110.898 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.35 -55.31 2.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.019 0.437 . . . . 10.0 110.95 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 50.1 p -79.08 -45.22 20.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.21 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 65.87 44.89 2.67 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.946 0.778 . . . . 10.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.2 t -163.76 135.7 4.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.91 -20.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.151 0.501 . . . . 10.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 2.6 mp0 -86.66 11.42 12.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.127 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.473 ' CG1' HD11 ' A' ' 73' ' ' LEU . 17.1 mt -129.13 -45.1 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.518 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.407 ' O ' HG13 ' C' ' 493' ' ' ILE . 51.0 m -56.54 -60.23 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -31.29 70.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.235 0.54 . . . . 10.0 110.686 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.504 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 16.0 t70 -68.69 -59.34 3.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.731 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.7 -32.9 63.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.041 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.407 HG13 ' O ' ' C' ' 489' ' ' THR . 48.1 mt -61.49 -37.63 78.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.826 0.346 . . . . 10.0 110.49 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.39 -26.77 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.526 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.483 ' HG3' HH22 ' A' ' 72' ' ' ARG . 6.6 mm-40 -82.86 -36.22 25.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.416 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.51 112.93 1.75 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.035 -0.602 . . . . 10.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -161.75 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 10.0 110.726 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 55.6 mt -89.5 135.15 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.84 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -80.54 111.31 16.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.404 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 26.2 m -70.04 160.69 79.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.646 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.2 97.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.611 2.207 . . . . 10.0 112.332 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -94.41 132.59 28.64 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.865 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.69 107.42 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.749 2.299 . . . . 10.0 111.942 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.335 -0.841 . . . . 10.0 109.47 -179.571 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -103.44 144.17 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.659 0.266 . . . . 10.0 111.114 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -131.95 164.83 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.784 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 66' ' ' THR . 53.7 m-85 -120.74 125.72 48.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.733 0.301 . . . . 10.0 110.384 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.35 119.43 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -89.4 137.72 32.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.791 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 p -123.2 165.18 17.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.439 . . . . 10.0 111.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.7 -8.85 58.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.83 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.6 14.38 21.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.12 41.83 96.84 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.101 -0.571 . . . . 10.0 112.855 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -133.04 124.97 28.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.802 0.334 . . . . 10.0 110.964 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -99.21 108.68 21.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.61 139.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 128.56 53.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.5 150.36 46.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.937 0.398 . . . . 10.0 111.217 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -99.6 123.7 44.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.976 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.88 -179.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.865 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' HD11 ' A' ' 56' ' ' LEU . 13.9 mm-40 -142.26 159.13 59.51 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.44 -27.72 69.66 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.328 2.019 . . . . 10.0 112.603 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.79 3.38 45.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.655 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.47 149.27 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 10.0 110.586 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.08 150.47 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.138 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.32 -38.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.772 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.03 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -64.93 -35.34 80.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 10.0 109.888 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 30' ' ' ILE . 72.0 t -63.63 -42.07 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.332 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.27 -41.26 88.45 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.65 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.545 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -64.44 -35.44 80.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.403 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.4 mt -69.75 -38.82 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.081 0.467 . . . . 10.0 109.869 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -72.83 -25.16 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.489 0.661 . . . . 10.0 109.462 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.35 -34.37 63.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -94.33 -49.25 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.02 -45.19 10.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 13.8 26.05 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.302 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -90.81 123.49 64.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.33 141.8 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.728 2.286 . . . . 10.0 112.229 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.6 -23.56 49.29 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.99 2.46 . . . . 10.0 113.006 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.45 -32.54 74.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.197 0.522 . . . . 10.0 110.509 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 12.75 34.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.664 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -105.12 102.98 12.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.51 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -105.67 96.86 6.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.15 116.63 21.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.213 0.53 . . . . 10.0 111.7 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.56 141.48 26.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.889 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -137.97 126.61 23.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.233 -0.655 . . . . 10.0 109.233 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 15.87 7.13 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.64 0.588 . . . . 10.0 112.273 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.53 1.01 53.26 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.776 -0.726 . . . . 10.0 113.536 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -122.54 150.5 42.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.188 0.494 . . . . 10.0 110.372 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 10.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 mt -92.78 154.37 18.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.148 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 30.3 mt-10 -101.35 140.38 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.321 -0.4 . . . . 10.0 109.926 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.37 -40.8 75.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.78 39.82 2.86 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.891 -0.671 . . . . 10.0 113.564 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.5 mmt180 -133.58 165.04 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.411 . . . . 10.0 110.123 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -112.33 169.69 8.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 18' ' ' GLU . 72.2 mt -65.89 -28.79 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 10.0 110.894 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 m -70.97 -25.63 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.141 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -65.7 -27.91 68.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.955 0.407 . . . . 10.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.81 6.67 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.927 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.37 51.78 11.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.585 0.707 . . . . 10.0 110.343 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -92.39 110.15 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.071 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -87.59 -170.39 3.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.795 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -76.78 153.66 34.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.926 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.53 23.61 11.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.163 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 m -83.94 150.53 25.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.019 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.5 m -104.59 116.72 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.97 0.414 . . . . 10.0 111.541 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -99.95 133.91 43.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -91.26 115.65 28.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.703 0.287 . . . . 10.0 110.904 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 tp -93.78 101.53 13.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.13 0.491 . . . . 10.0 109.944 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.2 t -86.31 120.94 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.653 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.42 149.85 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 16.8 ttt180 -155.31 141.21 18.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.694 0.283 . . . . 10.0 111.289 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.07 145.69 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -128.5 12.09 6.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.988 0.423 . . . . 10.0 110.794 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.67 16.24 7.44 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.681 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.776 -1.013 . . . . 10.0 111.342 -179.88 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -106.15 130.73 53.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.044 0.449 . . . . 10.0 111.74 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -118.11 160.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.303 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.46 107.82 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.024 0.44 . . . . 10.0 111.354 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -94.58 115.05 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -99.72 116.96 33.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.153 0.502 . . . . 10.0 111.503 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.21 162.4 26.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.846 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.26 -21.5 63.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.288 . . . . 10.0 111.055 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -9.78 59.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.691 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 -10.13 61.36 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.29 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.401 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 86.7 tttt -68.05 135.18 51.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.822 0.344 . . . . 10.0 110.726 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -107.17 114.77 29.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.448 . . . . 10.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.65 127.6 51.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.885 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.11 129.42 36.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.013 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.6 132.46 45.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.169 0.509 . . . . 10.0 111.573 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -91.68 104.27 16.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.517 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HG2' ' B' ' 1' ' ' MET . 25.1 m -134.59 170.23 20.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.619 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -125.92 150.68 69.74 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.95 -35.21 24.49 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.056 2.504 . . . . 10.0 113.915 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.9 3.02 24.15 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.883 0.697 . . . . 10.0 112.883 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.63 149.76 29.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.85 145.12 27.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.884 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.46 -39.02 66.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.832 0.348 . . . . 10.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.76 -38.94 86.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.772 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -66.27 -35.69 81.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.194 0.521 . . . . 10.0 109.656 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.473 ' O ' HG13 ' B' ' 30' ' ' ILE . 45.3 t -64.45 -46.27 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.596 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.57 -36.98 85.58 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.356 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -64.04 -38.53 91.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.46 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HZ3' HG11 ' B' ' 17' ' ' VAL . 28.2 mtmt -67.0 -28.4 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.581 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 26' ' ' VAL . 48.7 mt -71.83 -34.33 51.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.265 0.555 . . . . 10.0 109.803 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 1.5 pt20 -69.4 -27.73 65.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.0 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -43.26 43.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -72.79 -50.45 24.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.676 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.401 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 77.3 mm-40 -91.71 -79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.855 0.36 . . . . 10.0 110.684 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.39 23.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.312 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.82 128.03 29.76 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.5 Cg_exo -57.46 139.13 89.2 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.508 2.139 . . . . 10.0 112.545 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 30.1 Cg_exo -61.27 -21.51 71.96 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.73 2.287 . . . . 10.0 112.497 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -9.5 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.82 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -117.86 16.79 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.63 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -125.54 123.96 40.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.964 0.412 . . . . 10.0 111.716 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -115.0 128.01 56.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.631 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -106.16 125.26 50.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.638 0.256 . . . . 10.0 111.108 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.32 128.23 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.306 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -131.3 124.23 30.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.369 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.81 25.94 15.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.794 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 1.77 83.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.12 -0.562 . . . . 10.0 112.543 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -114.7 143.08 45.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.667 0.27 . . . . 10.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.14 137.7 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.303 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 55.0 mt -89.28 128.24 35.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.328 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.89 145.17 25.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.113 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -68.68 -18.5 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.802 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.69 23.28 31.36 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.445 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -130.67 169.97 14.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.134 0.492 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 29.6 p -108.02 177.28 4.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.377 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 18' ' ' GLU . 17.0 mt -73.56 -36.34 65.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -72.02 -7.72 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.362 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.3 m-20 -70.78 -50.37 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.061 0.458 . . . . 10.0 110.193 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -93.41 15.13 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.09 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 64.12 27.71 14.09 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.384 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.2 mt -69.92 121.89 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 10.0 109.836 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.91 -172.65 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.109 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -66.63 158.58 29.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.589 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 61.1 16.36 7.06 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.62 -0.718 . . . . 10.0 112.652 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -91.36 135.88 33.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.47 117.75 30.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.153 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.0 137.14 41.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -92.38 126.01 37.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.768 0.318 . . . . 10.0 110.182 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.48 113.63 27.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.292 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -98.05 132.6 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -93.1 145.02 24.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.841 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -123.68 102.51 7.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.784 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.82 145.35 27.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -114.67 7.94 16.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.544 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 15.02 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.618 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.798 -1.001 . . . . 10.0 111.384 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 120.648 0.261 . . . . 10.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 62.03 23.28 13.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.955 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -45.07 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 10.0 111.302 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.98 -35.19 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.626 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.26 -38.08 60.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.023 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.57 -46.5 88.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.868 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.36 93.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.157 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -70.17 -42.06 72.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.41 79.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -58.28 -37.96 76.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.874 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' C' ' 467' ' ' MET . 21.2 tp60 -65.85 -40.11 91.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -34.96 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.993 0.425 . . . . 10.0 110.115 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -63.0 -25.14 68.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.737 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.58 -18.48 48.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.676 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 36.8 mmm -92.69 -45.91 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.342 0.592 . . . . 10.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.428 ' O ' HG13 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.68 88.8 35.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.314 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.98 29.75 0.5 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.19 2.593 . . . . 10.0 112.294 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.21 10.84 4.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.243 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.428 HG13 ' O ' ' C' ' 468' ' ' PHE . 8.9 p -117.13 130.77 24.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 10.0 110.453 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.33 128.19 28.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.331 2.021 . . . . 10.0 112.223 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -56.89 -39.26 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 10.0 111.922 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -65.46 -22.27 66.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.715 0.293 . . . . 10.0 111.453 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.75 -35.82 26.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 19.1 t -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 10.0 109.797 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 79.7 mt -65.57 -16.87 64.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.02 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -80.61 -48.63 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.566 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -23.33 47.19 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.195 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 67.4 mt-30 -79.41 -18.78 51.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 10.0 111.187 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.86 -43.08 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.493 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.6 p -81.82 -45.76 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.711 0.291 . . . . 10.0 111.224 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.43 23.12 11.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.3 t -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.89 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.63 -29.19 46.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.156 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -60.4 -35.9 76.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.611 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.99 -35.6 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.428 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.8 m -60.87 -52.85 63.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.747 0.308 . . . . 10.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -33.76 75.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.797 0.332 . . . . 10.0 110.955 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 18.5 t0 -69.32 -43.51 73.57 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.83 -34.17 67.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.88 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.428 HG13 ' O ' ' C' ' 489' ' ' THR . 87.7 mt -64.64 -46.01 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.757 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.72 66.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 12.0 mm-40 -69.48 -48.22 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.701 -0.227 . . . . 10.0 111.069 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 129.4 50.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.605 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -105.97 -37.5 6.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.228 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.31 136.93 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.698 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.67 120.15 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 25.2 m -73.55 153.47 89.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.616 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.64 110.55 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.875 2.383 . . . . 10.0 113.132 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -122.31 124.19 26.92 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.729 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -64.15 111.95 1.74 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.54 2.16 . . . . 10.0 112.116 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.936 -1.03 . . . . 10.0 109.355 -179.619 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.4 ptt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -91.61 132.01 36.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -120.3 150.81 22.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.68 116.26 31.63 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.7 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -109.43 121.98 63.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -102.99 148.52 25.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.997 0.427 . . . . 10.0 111.39 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -111.94 166.03 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.9 -19.19 65.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.395 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -13.79 59.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.1 15.53 38.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.403 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -102.45 130.91 49.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.632 0.253 . . . . 10.0 110.631 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -105.08 130.43 53.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.641 0.258 . . . . 10.0 110.546 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 mt -112.6 137.11 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.632 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.93 124.16 47.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.368 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -123.93 147.57 47.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 10.0 111.564 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -98.45 110.43 23.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.761 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.1 m -138.52 166.1 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.124 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' HD11 ' A' ' 56' ' ' LEU . 35.9 mm-40 -123.55 159.1 56.85 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.47 -29.01 38.13 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.563 2.175 . . . . 10.0 113.466 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 3.4 31.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.215 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.08 136.8 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.991 0.424 . . . . 10.0 110.193 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 149.41 26.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.55 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.39 -37.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.207 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.1 -44.04 91.93 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.944 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -64.39 -35.03 79.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 10.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 30' ' ' ILE . 42.5 t -65.04 -40.72 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.719 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -59.2 -40.97 87.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.051 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.26 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.612 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.89 -36.89 84.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.494 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 26' ' ' VAL . 80.3 mt -68.68 -41.0 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.241 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.43 -33.5 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.785 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.55 -24.0 67.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.476 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -106.77 -45.43 4.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.61 -40.58 13.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.08 39.61 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.592 -0.814 . . . . 10.0 112.754 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.56 122.62 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.7 Cg_exo -55.51 143.39 78.35 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.855 2.37 . . . . 10.0 112.499 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.6 Cg_exo -62.65 -17.77 60.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.965 2.444 . . . . 10.0 112.497 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.76 -34.68 78.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -100.97 3.1 41.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.125 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -87.82 95.81 10.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.827 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -99.32 93.52 5.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 10.0 109.604 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.7 mt -80.97 125.48 30.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.446 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.27 138.93 50.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.263 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -132.19 118.57 19.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.245 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.46 19.84 10.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.79 -0.641 . . . . 10.0 112.412 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -10.98 55.14 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.699 -0.763 . . . . 10.0 113.027 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -110.39 151.0 28.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.85 0.325 . . . . 10.0 110.425 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.64 150.87 29.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 111.258 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -100.08 138.42 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.72 135.77 33.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.742 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.97 -43.71 77.83 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.5 16.98 11.49 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.867 -0.682 . . . . 10.0 114.03 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -116.15 158.51 23.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.504 0.652 . . . . 10.0 110.741 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.5 p -98.48 178.54 4.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD11 ' O ' ' A' ' 18' ' ' GLU . 90.1 mt -72.4 -36.49 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 109.886 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.6 m -65.86 -22.82 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.691 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -60.53 -31.68 70.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.25 14.9 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.812 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 61.48 28.75 18.01 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.401 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.58 106.42 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 10.0 110.662 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.45 -164.62 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 157.03 38.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.632 0.253 . . . . 10.0 111.4 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.58 29.49 13.08 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.929 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.2 m -92.13 148.09 22.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.945 0.402 . . . . 10.0 110.59 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -112.31 124.39 52.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.507 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.02 143.37 35.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.024 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.472 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 43.3 m80 -104.75 121.51 43.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.509 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.7 tp -100.31 103.64 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.076 0.465 . . . . 10.0 110.378 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.5 t -98.48 136.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.019 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.32 128.28 43.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.466 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.6 ttt180 -99.15 127.33 45.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.753 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.53 105.79 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.009 0.433 . . . . 10.0 110.833 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.468 ' CZ ' ' HG3' ' C' ' 495' ' ' GLU . 2.4 mmp_? -110.79 -7.24 14.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.41 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.02 48.2 0.96 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.98 -0.629 . . . . 10.0 111.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.727 -1.041 . . . . 10.0 111.3 179.848 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -101.49 130.99 47.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 10.0 111.124 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -118.39 158.71 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.04 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.68 110.65 17.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.154 0.502 . . . . 10.0 111.459 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -102.1 122.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.54 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 90.4 mttt -109.42 127.09 54.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.213 0.53 . . . . 10.0 111.129 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 163.04 15.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.309 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.87 -19.76 53.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -6.67 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 10.0 111.499 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -3.51 63.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.708 . . . . 10.0 112.478 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 81.0 tttt -67.79 137.84 55.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.923 0.392 . . . . 10.0 111.263 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -112.77 103.81 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.991 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.98 129.64 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.915 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -102.58 123.12 45.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -126.62 145.03 50.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.962 0.411 . . . . 10.0 111.778 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.54 114.37 26.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.579 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.1 m -135.43 -175.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.532 ' O ' HD12 ' B' ' 56' ' ' LEU . 20.7 mm-40 -139.97 157.49 69.28 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.07 -37.86 69.2 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.32 2.013 . . . . 10.0 112.992 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.94 131.26 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 10.0 110.11 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.415 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.8 OUTLIER -70.48 142.39 51.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.903 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 30.0 mm -54.75 -42.63 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.995 0.426 . . . . 10.0 110.505 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.95 -38.81 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.942 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.505 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -72.42 -34.21 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 22' ' ' THR . 52.5 t -62.38 -47.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.0 ptmt -71.31 -21.91 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.719 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.98 69.6 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 67.6 mttt -67.85 -35.9 79.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 30.1 mt -71.03 -32.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 10.0 110.602 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.53 -12.7 55.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.029 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -99.13 -54.54 2.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -91.52 -29.57 16.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.845 0.355 . . . . 10.0 111.096 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.94 9.65 58.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.861 -0.685 . . . . 10.0 112.636 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.43 125.92 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.69 137.44 68.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.51 2.14 . . . . 10.0 112.55 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.8 -28.91 88.38 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.01 2.473 . . . . 10.0 113.024 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.67 -29.17 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.413 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.75 17.87 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.892 0.377 . . . . 10.0 110.36 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -108.22 108.36 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.634 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -114.24 115.13 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.147 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.29 132.48 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.81 133.4 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.57 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -129.22 123.08 31.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.206 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.29 21.45 10.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.03 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.86 -10.04 64.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -100.91 133.37 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.516 0.198 . . . . 10.0 110.667 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -77.34 129.13 35.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.3 mt -82.09 133.1 35.26 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.065 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 44.4 mt-10 -83.43 149.65 26.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.713 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -46.02 88.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.18 51.89 4.45 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.774 -0.727 . . . . 10.0 113.675 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 27.5 mmt180 -136.94 170.21 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.952 0.376 . . . . 10.0 110.493 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.22 160.17 16.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.818 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.532 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.1 mt -66.05 -40.19 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.552 0.215 . . . . 10.0 111.545 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.72 -39.52 94.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.873 0.368 . . . . 10.0 111.456 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -98.6 14.89 26.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.394 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 62.66 27.44 16.16 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.0 mt -77.01 119.51 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.0 0.429 . . . . 10.0 110.403 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -130.61 -163.79 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.571 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.94 159.1 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 65.45 4.58 2.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.467 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -84.73 134.06 34.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.731 0.301 . . . . 10.0 110.45 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.619 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.21 137.38 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.666 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -99.22 135.87 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.2 tp -111.18 115.62 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.066 0.46 . . . . 10.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.3 t -111.99 134.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -84.32 164.04 19.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.118 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -142.35 105.94 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 10.0 111.02 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.8 mt -106.24 144.96 32.19 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.88 31.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 10.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.27 -21.26 47.11 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 117.884 -1.509 . . . . 10.0 110.18 179.518 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.503 -0.184 . . . . 10.0 110.503 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 52.46 36.33 19.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.048 0.452 . . . . 10.0 111.33 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -49.52 75.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.796 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.84 -39.96 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 10.0 110.749 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.22 -40.77 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.83 -47.16 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.477 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.27 99.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 24.7 mtm -65.16 -40.12 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 10.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.68 81.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.418 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.21 -38.42 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.083 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -67.7 -36.38 80.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 36.2 mt -70.44 -35.62 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.925 0.393 . . . . 10.0 110.328 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -63.05 -25.87 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.513 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.67 -17.06 59.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.421 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.472 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 82.4 mmm -98.53 -41.37 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.106 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.44 ' O ' HG13 ' C' ' 471' ' ' VAL . 2.8 m-85 -131.95 86.34 47.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.385 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.38 40.43 0.97 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.683 2.255 . . . . 10.0 112.565 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -141.96 14.21 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 10.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.44 HG13 ' O ' ' C' ' 468' ' ' PHE . 7.4 p -113.37 131.08 23.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 120.58 8.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.789 2.326 . . . . 10.0 112.643 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -53.39 -40.81 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.441 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -66.54 -20.63 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.621 0.248 . . . . 10.0 111.639 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.68 -30.69 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.85 -43.15 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 10.0 109.552 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.13 -23.6 67.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' C' ' 478' ' ' GLN . 2.1 tt0 -71.95 -54.66 9.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.52 -37.98 82.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.646 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -20.81 57.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.729 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -86.32 -17.66 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 10.0 111.062 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.93 -47.74 4.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.382 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 24.4 p -84.18 -44.82 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 10.0 110.541 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.89 18.31 9.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.649 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 66.8 m -145.5 118.04 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.519 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.64 -28.59 23.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.866 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -56.82 -54.36 47.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.166 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.76 -23.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.499 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.7 m -70.19 -54.33 13.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.411 0.523 . . . . 10.0 112.411 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.8 m -60.22 -34.24 73.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.919 0.39 . . . . 10.0 110.503 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.466 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 29.7 t70 -73.86 -38.16 64.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.742 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -54.4 -32.77 57.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.827 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.6 mt -65.13 -44.26 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.82 -24.82 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.468 ' HG3' ' CZ ' ' A' ' 74' ' ' ARG . 11.5 mm-40 -75.52 -28.09 58.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.749 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 106.42 16.47 14.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.538 -0.839 . . . . 10.0 112.597 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -75.58 -40.92 55.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 10.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.85 123.07 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -72.05 109.2 5.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.915 0.388 . . . . 10.0 110.788 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 23.5 m -65.03 161.83 44.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.055 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.44 98.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.982 2.454 . . . . 10.0 112.746 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . 0.505 ' CG ' ' HD2' ' C' ' 503' ' ' PRO . 5.1 t80 -107.21 145.26 30.83 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . 0.505 ' HD2' ' CG ' ' C' ' 502' ' ' PHE . 19.1 Cg_endo -60.1 97.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.715 2.277 . . . . 10.0 112.658 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.286 -0.864 . . . . 10.0 109.506 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -98.04 125.96 43.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.329 . . . . 10.0 110.856 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -117.2 153.94 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 66' ' ' THR . 98.5 m-85 -117.03 120.14 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.909 0.385 . . . . 10.0 110.58 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 t -109.64 120.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -104.84 134.3 48.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.968 0.414 . . . . 10.0 110.935 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -99.71 165.28 11.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.32 -13.15 57.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 10.0 110.901 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -12.39 59.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.376 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.75 11.47 57.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.571 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 83.0 tttt -95.58 139.7 31.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.586 0.231 . . . . 10.0 110.81 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.71 108.9 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.081 0.467 . . . . 10.0 110.243 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -89.92 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.476 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -118.4 135.13 54.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 10.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.39 141.36 39.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.094 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -98.74 89.45 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.664 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 1' ' ' MET . 6.1 m -121.38 157.49 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.562 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.92 154.26 37.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.19 -32.71 51.32 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.588 2.192 . . . . 10.0 113.387 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.82 0.42 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -84.23 143.97 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.74 148.8 26.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.46 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.63 -39.99 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.176 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 -36.49 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.86 -38.03 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.858 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -41.35 91.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.057 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -57.59 -41.47 81.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.004 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.8 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 10.0 110.235 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -67.47 -32.7 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.346 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.5 -37.15 63.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.41 -35.49 80.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.177 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.147 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -85.9 -53.9 4.83 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.484 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 10.8 mm-40 -85.57 -28.84 24.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.93 57.41 Favored Glycine 0 C--N 1.323 -0.186 0 C-N-CA 120.278 -0.963 . . . . 10.0 111.771 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -100.38 121.09 54.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.13 141.41 94.32 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.425 2.083 . . . . 10.0 111.974 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.56 -23.97 42.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.908 2.405 . . . . 10.0 111.844 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -27.36 66.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.642 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.29 11.0 21.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.45 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.14 92.41 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 10.0 111.309 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -96.32 97.75 9.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.26 126.11 31.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.212 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 HD12 ' CG2' ' A' ' 70' ' ' VAL . 1.4 mp -124.84 139.18 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.048 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -132.83 112.03 11.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.195 -0.669 . . . . 10.0 109.195 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.56 17.96 11.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.31 -8.35 48.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.883 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -107.68 138.95 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.648 -0.325 . . . . 10.0 110.661 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 149.4 38.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 10.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -100.03 136.39 40.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.516 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.08 137.31 33.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.233 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.15 -42.0 84.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.275 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.8 47.2 3.75 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.727 -0.67 . . . . 10.0 112.943 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mmt-85 -142.04 159.39 42.33 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 p -102.78 165.3 11.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.41 -30.82 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.154 0.502 . . . . 10.0 110.475 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -23.8 63.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.535 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.46 -27.55 68.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.2 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -107.95 8.25 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 62.15 32.45 17.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.314 -0.857 . . . . 10.0 110.978 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.8 mt -75.6 109.01 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -95.93 -174.33 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.228 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 63.1 pttt -71.84 155.89 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.76 -0.2 . . . . 10.0 110.748 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 68.88 7.53 6.24 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.8 0.688 . . . . 10.0 112.219 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 m -77.76 141.36 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 4.0 m -100.94 117.54 35.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.969 0.414 . . . . 10.0 110.574 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -96.11 143.74 26.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.833 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -99.86 129.44 45.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.659 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.8 tp -112.21 105.39 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.976 0.417 . . . . 10.0 110.425 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' CG2' HD12 ' A' ' 44' ' ' ILE . 54.7 t -86.64 127.84 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.07 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.44 145.36 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.6 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.05 150.92 43.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.0 0.429 . . . . 10.0 111.366 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pp -154.69 167.4 30.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.511 178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.52 13.81 3.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.892 0.377 . . . . 10.0 110.642 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.39 170.18 31.61 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.303 -0.719 . . . . 10.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' B' ' 59' ' ' TYR . . . . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.421 -1.211 . . . . 10.0 111.998 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.595 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 20.9 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -108.76 144.02 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.06 0.457 . . . . 10.0 111.566 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 pt -124.83 162.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.571 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.93 106.33 11.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 10.0 111.516 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.31 123.83 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -108.54 128.57 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.937 0.399 . . . . 10.0 111.156 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -96.86 172.35 7.93 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.69 -8.1 52.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.989 0.423 . . . . 10.0 111.055 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -2.01 53.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.88 0.96 87.3 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.029 -0.605 . . . . 10.0 112.231 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.49 125.37 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.13 129.01 48.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.803 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.63 123.76 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 128.21 36.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.237 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.64 148.96 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 10.0 111.015 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -97.95 121.32 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.549 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.595 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.4 m -142.05 169.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.956 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.565 ' O ' HD12 ' B' ' 56' ' ' LEU . 64.7 mm-40 -128.83 160.75 61.62 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.86 -23.46 50.96 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.106 1.87 . . . . 10.0 112.57 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -91.42 7.57 40.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.588 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -78.48 136.28 37.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.06 147.32 27.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.216 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.589 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 51.2 mm -58.25 -40.85 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.24 -36.2 72.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.66 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.9 t30 -70.3 -36.88 74.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.16 -35.01 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.612 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 6.2 mmmm -61.06 -39.0 88.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.66 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.46 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.486 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 29.8 mttt -65.0 -40.67 95.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.31 -38.48 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 10.0 109.536 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.84 -44.59 89.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.9 -8.74 57.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 10.0 111.638 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -106.29 -48.76 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.501 -0.48 . . . . 10.0 112.102 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -102.64 -13.39 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 23.12 70.93 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.528 -0.844 . . . . 10.0 112.763 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.4 mt -87.28 131.7 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.742 -0.269 . . . . 10.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.438 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 26.8 Cg_exo -59.95 130.68 35.76 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.564 2.176 . . . . 10.0 112.24 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.88 -26.58 82.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.811 2.341 . . . . 10.0 112.737 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -101.43 15.32 29.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.198 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.569 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 66.2 mt-30 -98.88 88.41 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.735 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 47.8 mtt180 -97.3 98.07 9.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.078 0.466 . . . . 10.0 110.222 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.46 126.39 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.677 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.32 127.82 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.311 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -120.94 111.24 17.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.564 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.3 29.87 18.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.976 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.35 -10.53 71.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.608 -0.806 . . . . 10.0 112.725 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 55.2 mtmt -97.49 132.31 43.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.659 0.266 . . . . 10.0 110.461 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -79.71 130.65 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -88.48 114.96 25.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.914 0.387 . . . . 10.0 111.017 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -81.46 151.72 27.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.879 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.27 -46.48 90.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.24 46.73 3.26 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.156 -0.545 . . . . 10.0 112.478 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 38.1 mmt180 -137.14 160.88 37.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 41.7 p -109.2 170.23 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.245 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.565 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -69.2 -20.85 63.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.609 . . . . 10.0 109.582 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.96 -5.7 59.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.356 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.3 OUTLIER -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.232 179.546 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 44.5 m-85 -105.14 7.1 33.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.709 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.43 61.77 1.94 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.622 0.725 . . . . 10.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.67 118.64 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.041 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.22 178.76 5.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.9 pttp -73.22 160.61 31.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 62.12 25.0 14.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.818 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -92.22 150.55 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.405 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -93.28 119.77 32.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.73 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.99 115.88 30.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.382 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -81.63 132.35 35.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.721 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -112.38 112.14 23.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.557 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 33.8 t -108.98 135.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.96 147.27 25.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.251 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -120.46 112.81 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.31 147.79 23.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -86.91 69.98 10.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.149 0.499 . . . . 10.0 110.818 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.8 -56.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.814 -0.708 . . . . 10.0 111.85 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.646 -1.085 . . . . 10.0 111.813 179.507 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.567 0.223 . . . . 10.0 110.73 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' C' ' 457' ' ' LEU . 98.2 m-20 62.54 27.86 16.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.709 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -60.14 2.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.963 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -65.98 -31.84 72.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.295 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' C' ' 454' ' ' ASN . 46.9 mt -65.32 -37.57 87.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -70.44 -41.28 73.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.989 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.47 98.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.374 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 54.2 mtm -67.32 -35.92 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.487 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.08 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.523 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -58.7 -42.01 87.63 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.365 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.284 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 87.4 mt -71.25 -36.7 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.577 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -61.39 -34.01 74.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.716 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.73 -31.21 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.931 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 45.8 mtm -77.67 -35.76 52.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.137 0.494 . . . . 10.0 111.107 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.458 ' O ' HG13 ' C' ' 471' ' ' VAL . 4.4 m-85 -116.69 82.81 13.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.518 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.94 40.18 0.71 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.779 2.319 . . . . 10.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.63 26.09 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.154 0.502 . . . . 10.0 110.619 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.458 HG13 ' O ' ' C' ' 468' ' ' PHE . 10.6 p -128.31 134.9 26.77 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.324 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 31.4 Cg_exo -61.99 119.87 7.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.343 2.029 . . . . 10.0 111.936 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.46 -38.54 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.282 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -65.99 -24.48 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.647 -0.251 . . . . 10.0 111.226 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 36.2 mt -82.07 -35.21 28.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.69 0.281 . . . . 10.0 110.432 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.4 t -63.74 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.88 -26.91 68.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.976 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.81 -50.34 51.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.4 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.39 -35.7 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.462 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -26.47 61.29 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.371 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -85.05 -12.33 53.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.923 0.392 . . . . 10.0 110.942 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.91 -53.52 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.725 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.8 p -77.31 -39.55 47.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.688 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 62.64 24.03 14.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.838 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 t -158.85 129.31 5.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.021 0.439 . . . . 10.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 23.7 m -62.8 -17.57 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.228 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -79.41 -13.31 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.811 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.479 HG22 ' ND2' ' C' ' 492' ' ' ASN . 0.7 OUTLIER -114.84 -39.38 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.739 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 15.6 m -55.25 -64.95 0.68 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.434 . . . . 10.0 111.857 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.31 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.829 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 32.8 t70 -64.4 -49.71 70.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 10.0 110.396 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . 0.479 ' ND2' HG22 ' C' ' 488' ' ' ILE . 11.1 m-80 -61.81 -38.89 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.642 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.23 -41.44 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.225 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -30.64 71.68 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.046 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 38.2 mm-40 -78.24 -46.69 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.376 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 135.37 50.73 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.605 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -84.59 -41.85 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.083 0.468 . . . . 10.0 110.663 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.11 139.68 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.333 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.25 116.05 23.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.26 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.22 157.28 77.99 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.12 114.48 1.92 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.629 2.219 . . . . 10.0 112.197 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -103.46 125.79 33.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.234 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.91 116.34 3.24 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.725 2.283 . . . . 10.0 112.241 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.255 1.364 0 CA-C-O 118.225 -0.893 . . . . 10.0 109.447 -179.52 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.803 0.335 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 16' ' ' GLU . 59.8 mm-40 -98.35 136.53 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.61 161.76 38.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.625 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -114.05 134.47 54.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t -111.68 113.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.856 0.36 . . . . 10.0 110.189 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' ' HE3' ' C' ' 467' ' ' MET . 15.3 tttt -90.79 127.48 36.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.717 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -112.5 169.92 8.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.956 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.37 -12.79 60.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.18 0.514 . . . . 10.0 110.743 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -8.38 56.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.378 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.75 6.83 82.35 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.681 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -88.8 104.86 17.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.811 0.338 . . . . 10.0 110.532 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -82.24 104.04 12.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 10.0 110.139 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.66 145.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 128.42 56.3 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.43 148.54 52.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.924 0.392 . . . . 10.0 111.389 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB2' ' NE2' ' A' ' 2' ' ' GLN . 22.5 tt0 -104.2 112.32 25.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.848 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.46 -169.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.652 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.6 mm-40 -143.33 156.15 60.94 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.27 -35.1 62.58 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 10.0 112.743 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -11.11 60.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.197 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.18 152.41 44.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.961 0.41 . . . . 10.0 110.516 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.42 26.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.102 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.87 -38.98 54.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.965 0.412 . . . . 10.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 21.4 tt0 -57.92 -38.22 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.485 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -74.47 -33.04 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.087 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 22' ' ' THR . 99.6 t -64.06 -45.18 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.225 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HE2' ' OD2' ' A' ' 52' ' ' ASP . 19.7 mtmt -63.38 -34.09 76.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.516 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.886 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.22 -36.29 83.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.07 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 26' ' ' VAL . 89.4 mt -65.29 -41.09 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.17 0.51 . . . . 10.0 109.771 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.97 -30.0 70.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.46 -24.25 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.188 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.45 -46.2 3.9 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -81.74 -35.75 29.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.72 -5.99 79.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.076 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.7 119.7 78.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.33 -0.248 . . . . 10.0 110.33 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.74 143.88 78.57 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.397 2.064 . . . . 10.0 112.254 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.17 -14.39 23.72 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.826 2.351 . . . . 10.0 112.665 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -43.29 99.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -94.5 4.62 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.383 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -88.47 105.82 17.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -107.56 101.35 10.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.44 133.6 33.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.824 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.18 139.2 51.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.16 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.94 120.85 20.85 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.01 16.93 10.28 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.749 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.0 5.53 53.24 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.636 -0.792 . . . . 10.0 113.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -125.57 144.84 50.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.196 0.498 . . . . 10.0 110.691 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.84 145.96 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.607 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.14 134.23 44.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.55 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.9 mt-10 -89.62 136.29 33.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.724 0.297 . . . . 10.0 110.676 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 24' ' ' GLU . 1.3 m-20 -58.01 -27.87 63.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.36 -2.58 90.25 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.002 -0.618 . . . . 10.0 113.332 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 33.1 mmt180 -103.0 160.89 14.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.173 0.487 . . . . 10.0 110.234 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 55.3 p -103.8 170.12 8.11 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.895 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD11 ' O ' ' A' ' 18' ' ' GLU . 61.5 mt -65.17 -31.22 72.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.889 0.376 . . . . 10.0 110.585 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.87 -22.32 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.926 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.8 m-20 -65.48 -33.72 76.6 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.34 11.37 38.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.35 38.98 25.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.015 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.5 mt -83.61 121.17 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.366 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -111.02 -169.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.744 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -70.25 154.21 42.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.909 0.385 . . . . 10.0 111.451 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.49 29.24 13.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.651 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -101.5 147.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -104.14 128.12 51.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.192 0.52 . . . . 10.0 111.575 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.52 132.92 51.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.219 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.537 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -91.14 118.61 30.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.914 0.388 . . . . 10.0 110.758 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -101.72 103.92 14.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.049 0.452 . . . . 10.0 110.15 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.4 t -91.48 129.16 42.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.316 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -96.96 142.13 29.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.681 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.39 165.43 21.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.942 0.401 . . . . 10.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -119.73 -174.12 2.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.309 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -132.15 -46.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.316 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.87 153.46 20.3 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.419 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.503 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.252 1.257 0 CA-C-O 118.189 -1.339 . . . . 10.0 111.383 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -123.5 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 10.0 110.896 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.7 pt -122.29 168.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.329 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.04 114.1 21.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.42 118.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -102.72 129.9 49.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.945 0.402 . . . . 10.0 111.18 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.5 p -94.92 163.48 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -13.44 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -9.99 55.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.231 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.95 20.26 26.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 10.0 113.373 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -102.89 138.81 39.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.079 0.439 . . . . 10.0 110.315 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -112.38 115.51 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 10.0 110.174 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mt -98.81 133.11 42.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.16 122.26 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.71 151.36 51.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.204 0.526 . . . . 10.0 112.253 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 130.82 35.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.508 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -153.46 167.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 10.0 110.695 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.1 mm-40 -142.62 155.44 63.54 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.091 -1.077 . . . . 10.0 108.091 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 -24.82 26.72 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.364 2.043 . . . . 10.0 113.226 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 4.24 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 10.0 112.071 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -85.33 142.12 29.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 10.0 110.393 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.1 m -89.12 144.69 25.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.582 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 54' ' ' ARG . 52.2 mm -54.13 -39.0 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 120.916 0.388 . . . . 10.0 111.277 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.52 -43.91 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.673 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.81 -36.91 84.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.87 -44.85 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.881 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -65.92 -34.05 77.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.409 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.32 89.04 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.131 0.491 . . . . 10.0 109.793 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.31 -40.11 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.65 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.9 mt -67.84 -33.12 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.054 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.63 -30.81 71.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.463 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.85 -30.44 50.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.087 0.47 . . . . 10.0 110.57 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.53 -50.42 9.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 10.0 112.198 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -97.41 -43.25 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.9 26.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.379 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.4 121.04 84.34 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.483 0.183 . . . . 10.0 110.775 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.95 150.97 60.55 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.737 2.291 . . . . 10.0 112.161 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.45 -17.53 54.19 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.155 2.57 . . . . 10.0 112.991 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.43 -27.64 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.045 0.45 . . . . 10.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -101.44 12.29 37.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.361 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -112.19 123.17 49.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.884 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -133.14 107.84 8.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -95.77 133.8 39.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 10.0 112.012 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.98 123.28 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.952 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' B' ' 61' ' ' ILE . 65.4 t80 -111.81 113.46 25.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.157 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.46 32.21 20.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.945 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 8.34 69.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.839 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.503 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 41.5 mtmt -114.75 116.0 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.762 -0.257 . . . . 10.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.26 126.58 29.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.1 mt -84.38 127.49 34.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.915 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 83.7 mt-10 -84.88 143.43 29.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.58 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.52 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.28 20.41 33.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.613 -0.804 . . . . 10.0 114.084 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.459 ' O ' HG12 ' B' ' 23' ' ' ILE . 14.9 mmt180 -120.02 165.7 14.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.731 0.766 . . . . 10.0 110.885 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -108.01 -177.35 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.128 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 18' ' ' GLU . 36.4 mt -68.34 -42.18 79.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.74 0.305 . . . . 10.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -63.86 -26.54 68.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 10.0 111.359 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.09 -37.19 79.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.123 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.25 11.89 30.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.61 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 63.07 30.1 16.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.533 0.52 . . . . 10.0 111.156 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' B' ' 45' ' ' PHE . 55.9 mt -74.61 118.44 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.475 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -128.47 178.92 5.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.297 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -68.0 172.03 6.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.736 0.303 . . . . 10.0 111.055 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 62.67 19.25 11.23 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.236 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -124.62 140.34 53.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.61 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -98.51 141.28 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.684 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.18 139.01 48.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -98.0 127.6 44.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.92 115.77 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 10.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -97.95 125.84 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.693 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.32 131.31 36.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.57 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttt-85 -113.92 115.0 26.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.136 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.27 148.52 42.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -79.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.391 . . . . 10.0 111.197 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.46 -67.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.154 -1.022 . . . . 10.0 112.632 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.441 -1.2 . . . . 10.0 111.506 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.686 0.279 . . . . 10.0 110.672 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' C' ' 458' ' ' ASN . 6.7 m-20 62.99 30.45 16.38 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 3.6 m -67.64 -48.49 66.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.995 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.46 -41.08 85.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.995 0.426 . . . . 10.0 110.232 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.03 -43.14 96.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.793 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' C' ' 454' ' ' ASN . 1.4 t-20 -62.17 -46.38 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.014 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 26.6 mtm -64.77 -43.2 94.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 10.0 110.352 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.96 87.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 10.0 110.678 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -60.58 -39.19 87.15 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -66.02 -40.69 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.117 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.37 -36.56 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.338 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -63.26 -22.4 66.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.156 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.68 -23.83 49.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.313 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.537 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.0 mmm -91.96 -39.91 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.982 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.569 ' O ' HG13 ' C' ' 471' ' ' VAL . 57.7 m-85 -124.73 92.3 48.04 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.6 6.18 5.62 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.702 2.268 . . . . 10.0 111.654 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -108.28 10.69 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.288 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.569 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -115.09 132.04 23.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.433 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 32.3 Cg_exo -60.23 125.2 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.459 2.106 . . . . 10.0 112.489 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.68 -40.01 62.48 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.287 0.635 . . . . 10.0 112.096 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 35.9 p-80 -65.05 -30.76 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.722 -0.217 . . . . 10.0 111.439 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.39 -34.46 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.9 t -64.81 -45.22 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 14.9 mt -64.78 -26.23 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.47 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . 0.428 ' HA ' ' NE2' ' C' ' 481' ' ' GLN . 0.0 OUTLIER -71.26 -45.97 61.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.83 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.478 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -25.99 56.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.31 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 47.7 mt-30 -76.26 -12.65 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.198 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . 0.438 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 3.2 mm? -111.61 -48.44 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.71 -0.223 . . . . 10.0 111.422 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 8.2 p -75.18 -39.46 60.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 10.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.438 ' HD2' ' O ' ' C' ' 482' ' ' LEU . 2.1 mpt_? 63.07 24.37 14.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.101 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t -170.9 132.9 0.89 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.765 0.317 . . . . 10.0 111.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -61.79 -21.36 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.549 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.26 -21.66 66.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.065 0.46 . . . . 10.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -40.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.287 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 9.7 m -52.7 -56.42 15.66 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 -40.75 75.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.356 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.37 -37.38 60.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 10.0 110.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -55.56 -40.04 71.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.15 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.31 -43.88 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.998 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.264 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -75.61 -8.27 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 10.0 111.151 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 90.19 21.18 39.38 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.913 -0.661 . . . . 10.0 113.545 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -73.31 -41.13 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.306 0.574 . . . . 10.0 109.855 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.95 135.4 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 10.0 108.999 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -75.27 122.93 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.622 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.54 161.31 77.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.471 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.39 66.55 2.14 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.741 2.294 . . . . 10.0 112.552 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . 0.401 ' CG ' ' HD2' ' C' ' 503' ' ' PRO . 26.4 t80 -74.2 139.0 75.4 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.604 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' C' ' 502' ' ' PHE . 8.2 Cg_endo -50.48 115.25 1.83 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.018 2.479 . . . . 10.0 112.404 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.481 -0.771 . . . . 10.0 109.466 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.878 0.371 . . . . 10.0 110.148 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.49 133.79 35.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.392 . . . . 10.0 110.624 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -120.31 154.15 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -113.12 115.21 27.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.608 -0.269 . . . . 10.0 110.936 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.91 118.61 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -101.4 133.61 45.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.734 0.302 . . . . 10.0 110.884 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -102.94 166.91 10.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.001 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' C' ' 463' ' ' GLN . 11.4 mt -67.08 -17.66 64.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 10.0 110.871 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.72 2.51 37.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.04 37.85 48.97 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.948 -0.644 . . . . 10.0 111.519 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 87.1 tttt -115.63 132.38 56.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -104.64 108.61 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 10.0 110.326 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.61 129.74 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.604 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.74 126.67 52.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.16 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -126.19 148.13 49.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.836 0.351 . . . . 10.0 111.012 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -101.84 97.39 7.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.025 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.4 m -128.85 179.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.007 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' HD11 ' A' ' 56' ' ' LEU . 9.3 mm-40 -129.83 154.07 81.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.93 -16.29 25.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.849 2.366 . . . . 10.0 113.719 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.54 0.95 50.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -84.1 155.83 22.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.372 0.605 . . . . 10.0 111.801 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.35 146.19 24.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.261 -0.882 . . . . 10.0 110.446 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.05 -41.05 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.923 0.392 . . . . 10.0 110.669 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.45 -31.65 70.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.3 -34.15 59.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 10.0 110.285 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.36 -41.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.623 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 1.9 mmmm -60.74 -38.45 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.417 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.42 93.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.388 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -65.47 -37.32 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.847 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.12 -35.4 71.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.143 0.497 . . . . 10.0 109.899 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.64 -33.68 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.813 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -83.37 4.79 25.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.814 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -115.62 -51.19 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.467 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 60.5 mm-40 -102.39 -16.38 16.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.788 -178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.24 5.5 82.67 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.629 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.3 mt -82.9 124.38 76.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 122.084 0.154 . . . . 10.0 110.635 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.68 147.26 92.77 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.73 2.287 . . . . 10.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.01 -23.83 74.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.726 2.284 . . . . 10.0 112.414 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -23.08 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -103.73 5.98 36.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.079 0.466 . . . . 10.0 110.908 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 77.4 mt-30 -101.73 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.401 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' CZ ' HD21 ' C' ' 494' ' ' LEU . 2.4 ttt180 -120.44 92.53 3.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -76.89 120.49 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.971 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.98 135.7 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.776 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.3 t80 -138.65 131.4 29.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 25.24 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.444 0.465 . . . . 10.0 111.806 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 22.09 59.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -140.76 158.1 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.637 -0.331 . . . . 10.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.22 137.87 31.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.814 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 45' ' ' PHE . 32.3 mt -91.76 152.57 20.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.43 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -96.92 150.52 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.966 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.8 -42.4 81.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.034 0.445 . . . . 10.0 110.546 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.73 54.6 4.97 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.749 -0.739 . . . . 10.0 112.191 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -145.37 157.3 44.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.75 156.37 18.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.73 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 18' ' ' GLU . 83.7 mt -61.21 -27.36 68.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.111 0.481 . . . . 10.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -26.56 64.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.788 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -69.55 -25.05 63.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.907 0.384 . . . . 10.0 111.216 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -105.56 5.97 31.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 10.0 110.197 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 t30 56.06 44.96 24.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -83.93 113.56 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.093 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.52 -169.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.366 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.05 154.57 41.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.685 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 64.59 24.76 13.07 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.454 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 140.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 124.56 49.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.772 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.14 143.88 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.092 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -99.35 125.43 45.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.0 tp -96.46 92.39 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.083 0.468 . . . . 10.0 110.525 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.2 t -78.79 122.81 34.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.357 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.88 131.43 36.42 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 3.3 ttt180 -125.89 143.65 50.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 10.0 110.839 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 mt -136.55 158.93 43.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.893 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -119.32 26.73 9.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.408 0.623 . . . . 10.0 109.832 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.72 -140.31 4.21 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.265 -0.879 . . . . 10.0 111.21 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.46 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.914 -0.937 . . . . 10.0 111.706 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -108.41 143.04 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.094 0.473 . . . . 10.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -128.47 165.49 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.302 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 49.2 m-85 -119.98 120.24 35.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 10.0 111.001 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.31 118.49 52.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -103.01 126.98 50.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.975 0.416 . . . . 10.0 111.326 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -92.31 169.07 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.667 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.57 -22.35 66.28 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.833 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.18 4.96 32.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.856 0.36 . . . . 10.0 111.466 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.43 44.65 32.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.335 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.549 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 65.6 tttt -115.67 120.78 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -95.82 105.35 17.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.023 0.439 . . . . 10.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.43 132.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.288 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.8 114.12 26.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.052 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.4 148.19 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.045 0.45 . . . . 10.0 111.909 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.8 126.81 41.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.653 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 m -142.36 -177.65 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.773 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.441 ' O ' HD12 ' B' ' 56' ' ' LEU . 14.9 mm-40 -147.26 162.81 31.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.25 -33.51 75.77 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.577 2.185 . . . . 10.0 112.286 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 13.49 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.081 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -85.79 134.31 33.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 147.05 26.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.662 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 48.4 mm -58.31 -39.89 75.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 10.0 110.369 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.0 -33.96 74.06 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.679 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.2 t30 -69.89 -37.49 76.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.883 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.5 -36.87 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.038 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 5.2 mmmm -58.27 -37.29 74.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.298 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.38 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 74.6 mttt -65.19 -42.26 93.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.82 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.81 -34.47 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.613 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tt0 -68.85 -32.86 72.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.46 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.62 -27.3 63.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 10.0 110.29 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -87.27 -63.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.908 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -85.44 -36.52 20.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.57 15.03 48.28 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.82 128.07 57.63 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.686 -0.257 . . . . 10.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.6 Cg_exo -54.46 139.82 74.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.925 2.417 . . . . 10.0 112.46 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.5 Cg_exo -60.22 -20.86 64.01 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.875 2.383 . . . . 10.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -18.74 61.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.437 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 48.1 mt-30 -108.41 10.18 27.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.13 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -102.6 113.52 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.267 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -115.32 100.37 8.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 mt -88.66 123.0 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.602 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.5 mt -121.27 127.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.315 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -119.48 115.04 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.635 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.7 27.7 14.73 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.66 -6.94 65.3 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 120.695 -0.764 . . . . 10.0 112.99 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.46 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 48.1 mtmt -103.32 125.74 50.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.835 0.318 . . . . 10.0 110.66 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.91 122.62 25.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.4 mt -71.32 139.77 50.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.121 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -94.04 135.35 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.891 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.41 -25.66 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.85 30.67 6.41 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.925 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -134.26 166.61 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 10.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.4 p -109.7 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.951 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.441 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.4 mt -67.27 -36.89 82.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.562 0.22 . . . . 10.0 111.263 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -64.53 -24.91 67.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.471 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -65.49 -26.1 67.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.96 0.409 . . . . 10.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -108.18 5.97 26.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.376 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 61.66 33.91 17.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.496 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.51 115.24 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.62 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -99.19 -171.25 2.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.965 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -72.06 162.65 29.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.585 0.231 . . . . 10.0 110.88 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 63.38 20.98 12.57 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.922 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.3 m -83.26 144.63 29.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.623 0.249 . . . . 10.0 110.364 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 24.4 m -105.63 120.51 41.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.46 . . . . 10.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.69 135.15 48.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.14 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -93.09 120.01 32.93 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.75 106.85 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.039 0.447 . . . . 10.0 110.973 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 130.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.474 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -88.44 120.88 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.489 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.437 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 38.0 ttt180 -90.26 129.96 36.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.32 147.28 23.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.968 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.51 106.77 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.255 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.29 -34.49 0.6 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.773 -0.931 . . . . 10.0 110.773 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-O 119.107 -0.829 . . . . 10.0 111.056 179.376 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 453' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' C' ' 454' ' ' ASN . 4.9 p . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.475 0.178 . . . . 10.0 110.961 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' C' ' 453' ' ' SER . 5.3 m-20 73.55 17.73 3.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.035 0.534 . . . . 10.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.066 0.46 . . . . 10.0 111.58 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.47 -38.94 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.57 -37.4 86.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.637 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -67.0 -43.49 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.378 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.9 88.48 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.63 -38.79 77.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.63 95.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.653 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -56.29 -38.56 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.719 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 25.5 tp60 -63.13 -37.12 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.03 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.5 -36.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.368 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -65.11 -22.28 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.621 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.66 -12.73 60.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.897 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 38.7 mtm -107.19 -47.89 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.439 ' O ' HG13 ' C' ' 471' ' ' VAL . 4.1 m-85 -117.33 100.92 53.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.01 -0.5 9.61 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.583 2.189 . . . . 10.0 112.733 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.95 31.46 3.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.729 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.439 HG13 ' O ' ' C' ' 468' ' ' PHE . 12.5 p -133.77 132.37 21.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.3 126.45 20.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.389 2.06 . . . . 10.0 111.925 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.93 -38.52 72.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.939 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.44 -29.81 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.483 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.55 -35.31 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 10.0 110.022 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.37 -40.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.409 0.623 . . . . 10.0 109.343 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.39 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.988 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -49.96 16.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.441 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.44 -36.27 83.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -26.82 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -91.15 -2.12 57.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.21 -51.34 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.295 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 62.0 p -89.68 -39.17 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.707 0.289 . . . . 10.0 111.144 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 62.82 32.1 16.08 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.604 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 26.0 t -150.94 115.51 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.315 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -60.77 -28.89 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.769 0.319 . . . . 10.0 111.457 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.52 -15.09 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.722 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 48.1 mt -107.94 -40.01 4.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.171 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -56.23 -58.06 9.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -38.76 82.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.343 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.503 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 16.1 t0 -67.42 -48.27 67.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 37.3 t30 -52.33 -44.31 65.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.953 -1.022 . . . . 10.0 110.472 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.58 -43.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.28 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -64.41 -27.72 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.314 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 9.3 mm-40 -76.09 -13.19 60.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.683 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.79 27.9 11.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.71 -0.757 . . . . 10.0 112.84 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -81.16 -35.53 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 10.0 110.162 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.85 131.25 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.3 106.86 3.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.721 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.14 156.01 89.03 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.12 109.79 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.67 2.246 . . . . 10.0 112.168 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -115.34 121.12 35.31 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.37 97.65 0.7 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.451 2.101 . . . . 10.0 112.091 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.253 1.274 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.895 -179.856 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -116.05 138.99 50.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.262 -0.274 . . . . 10.0 110.262 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' THR . 36.6 pt -127.03 159.69 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.2 m-85 -114.42 120.63 40.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.935 0.398 . . . . 10.0 110.513 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.04 126.32 52.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.189 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.81 121.22 41.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.197 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -100.3 162.21 13.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.237 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -70.02 -13.77 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.874 0.369 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -10.37 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.929 0.395 . . . . 10.0 111.114 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.74 7.67 61.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.805 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -91.97 128.59 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.682 0.277 . . . . 10.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -102.69 130.81 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -119.51 130.19 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.871 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 2.8 m -96.28 105.96 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.28 140.53 30.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.662 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.23 107.0 18.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.105 -1.072 . . . . 10.0 108.105 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.65 -178.45 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.874 0.369 . . . . 10.0 111.137 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.5 mm-40 -143.3 158.61 57.64 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.71 -35.64 48.36 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.473 2.115 . . . . 10.0 113.11 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.6 1.0 24.12 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.64 132.89 36.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -82.01 145.4 30.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.291 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.49 -34.98 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.888 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.97 -31.28 71.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.773 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.84 -37.11 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 10.0 109.981 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 22' ' ' THR . 58.4 t -59.33 -45.94 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.323 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -68.76 -24.65 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.563 . . . . 10.0 109.774 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.83 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.291 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.65 -36.98 85.26 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -70.04 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.539 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 39.1 tt0 -68.3 -30.13 69.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.088 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.07 -37.45 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.135 0.493 . . . . 10.0 110.87 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.03 -70.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.856 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.49 -36.7 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.6 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.05 32.86 8.1 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.517 -0.849 . . . . 10.0 112.134 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.0 mt -100.39 126.73 35.03 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.16 141.26 80.54 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.898 2.398 . . . . 10.0 112.076 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.06 -28.91 65.74 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 10.0 112.276 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.24 -20.92 64.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.151 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.92 12.66 28.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.061 0.458 . . . . 10.0 110.622 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -109.07 103.83 12.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.504 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -103.63 102.79 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.99 126.29 34.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.388 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.515 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -137.98 124.72 21.05 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 21.1 11.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.955 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 1.41 64.01 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.145 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -120.28 151.21 39.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.64 -0.329 . . . . 10.0 110.752 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 151.82 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 10.0 110.742 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.56 146.56 27.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.662 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -93.81 144.11 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.585 -0.279 . . . . 10.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.83 -47.13 85.9 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.53 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.194 -0.526 . . . . 10.0 113.01 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -140.15 153.73 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -101.63 167.39 10.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.807 0.337 . . . . 10.0 110.37 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' O ' ' A' ' 18' ' ' GLU . 56.3 mt -66.12 -31.56 72.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.279 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -21.76 64.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.255 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 10.0 110.934 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -104.29 12.26 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.426 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 62.91 29.43 16.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.213 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.86 125.13 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.981 0.42 . . . . 10.0 110.231 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.87 -166.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.538 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -72.43 148.58 45.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.94 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.76 22.95 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.214 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -82.41 142.4 31.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -97.65 120.79 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.135 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -105.5 130.65 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 38.6 m80 -92.24 125.06 36.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.964 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 tp -103.46 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.945 0.402 . . . . 10.0 110.35 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.26 131.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -89.03 148.0 23.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.716 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -146.18 145.51 30.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -135.72 148.51 48.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 10.0 110.968 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 120.93 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.12 2.66 74.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.63 -0.795 . . . . 10.0 111.542 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.568 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.442 -0.934 0 N-CA-C 110.722 -0.951 . . . . 10.0 110.722 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -115.39 138.39 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.927 0.394 . . . . 10.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -124.28 161.9 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.139 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.32 118.56 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.53 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.33 124.0 64.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -105.49 131.62 52.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.007 0.432 . . . . 10.0 110.943 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -88.9 165.19 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.598 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.35 -21.84 65.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.866 0.365 . . . . 10.0 110.968 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.6 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.628 . . . . 10.0 111.446 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.47 4.13 34.94 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.429 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 87.1 tttt -84.68 142.91 29.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -117.77 114.12 22.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.764 0.316 . . . . 10.0 110.307 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.12 135.47 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.109 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.44 130.33 38.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 10.0 109.988 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -124.8 145.06 49.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.05 0.453 . . . . 10.0 111.09 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -97.69 110.12 22.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.649 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.87 177.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.903 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -139.05 160.46 62.54 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -35.32 90.07 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.578 2.185 . . . . 10.0 113.312 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 7.42 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.176 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.39 163.04 28.25 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.082 0.468 . . . . 10.0 110.599 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.422 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -107.99 143.69 36.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.083 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.4 -42.43 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.595 0.236 . . . . 10.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.99 -39.6 82.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.695 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -65.55 -37.18 85.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.301 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.422 HG21 ' O ' ' B' ' 22' ' ' THR . 47.3 t -65.06 -39.42 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.044 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 1.9 mmmm -60.47 -39.58 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.892 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.52 87.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.638 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.93 -34.01 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.228 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.6 mt -71.71 -36.24 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.77 -28.73 64.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.041 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.71 -25.56 61.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.936 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -102.15 -60.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 33.0 mm-40 -77.88 -38.09 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 10.0 111.788 -178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.17 39.38 6.08 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.133 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -108.85 127.7 26.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 110.408 -0.219 . . . . 10.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.79 136.57 59.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.863 2.376 . . . . 10.0 112.275 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.83 -22.81 69.86 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.569 2.179 . . . . 10.0 112.437 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.63 -21.66 55.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.707 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -98.72 -8.62 25.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.96 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.462 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 73.5 mt-30 -86.33 111.47 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 10.0 112.074 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -111.78 92.17 3.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -80.46 118.54 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.177 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -118.14 126.96 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.105 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -117.76 110.09 17.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.644 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.32 30.01 19.47 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.248 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.33 -17.18 59.46 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.186 -0.53 . . . . 10.0 112.625 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.568 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 19.5 mtmt -90.41 125.0 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 10.0 110.847 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.97 136.05 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.48 129.54 41.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.347 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.7 mt-10 -89.07 145.49 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.3 -41.13 83.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.29 42.35 3.08 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.887 -0.673 . . . . 10.0 113.347 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.419 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.2 mmt180 -137.15 159.97 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.2 p -101.95 168.71 9.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.2 mt -67.56 -32.72 73.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 10.0 110.672 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.87 -13.32 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.261 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.2 m-20 -67.54 -31.66 71.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.854 0.359 . . . . 10.0 111.112 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -104.93 13.7 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.142 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.1 t30 62.68 30.39 16.88 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.831 0.707 . . . . 10.0 110.776 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -77.47 123.22 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.75 -172.05 1.99 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -69.85 163.71 25.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.459 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 54.49 55.68 7.75 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.2 m -121.75 140.19 52.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.458 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -102.74 131.28 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.935 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.45 156.68 26.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.318 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -115.3 136.62 52.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.21 106.72 16.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.058 0.456 . . . . 10.0 111.138 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.97 124.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.471 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.4 mt -81.56 116.39 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.815 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -94.76 101.85 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.42 105.05 17.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.916 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -71.86 152.33 42.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.79 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.35 -53.83 0.43 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.7 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.981 -0.9 . . . . 10.0 111.517 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.339 -0.245 . . . . 10.0 110.339 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.76 31.18 9.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.228 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -35.55 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.229 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.25 -40.44 93.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.396 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.9 -31.97 65.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -59.79 -53.7 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.566 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.6 80.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 9.8 ttm -65.64 -38.44 89.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.19 81.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.17 -35.27 76.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.286 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' C' ' 467' ' ' MET . 20.1 tp60 -62.08 -43.21 99.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.94 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.51 -36.34 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.407 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.36 -28.08 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.512 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -74.67 -30.28 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.58 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.497 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 24.7 mmm -79.96 -43.42 22.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.812 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.456 ' O ' HG13 ' C' ' 471' ' ' VAL . 43.0 m-85 -123.2 96.55 44.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.15 12.79 2.84 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.38 2.054 . . . . 10.0 112.403 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.52 19.16 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.423 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.456 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.6 p -123.57 135.33 26.01 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 36.9 Cg_exo -62.9 127.8 21.39 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.42 2.08 . . . . 10.0 112.345 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.01 -43.79 63.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.488 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -63.8 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.33 -34.6 65.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.2 -43.41 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.52 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 72.3 mt -62.24 -25.72 67.98 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.779 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -72.72 -47.61 45.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.13 -35.49 80.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.497 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.31 -19.92 62.34 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.297 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 54.8 mt-30 -86.79 -21.88 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 10.0 110.404 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.32 -55.17 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.683 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.7 p -83.63 -44.98 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.204 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 66.96 23.15 9.91 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.724 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 m -147.43 124.7 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.55 -23.67 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.009 0.433 . . . . 10.0 111.469 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -67.02 -16.06 64.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.131 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.417 HG12 HD11 ' A' ' 73' ' ' LEU . 2.8 mt -111.07 -39.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.663 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -58.37 -52.92 63.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.263 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 m -59.7 -39.51 84.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.942 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.07 -33.98 68.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.913 0.387 . . . . 10.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.56 -36.61 71.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.48 -40.25 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.24 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.64 -42.58 82.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.346 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.45 -29.98 70.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 106.84 30.02 4.42 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.162 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -77.96 -41.14 37.12 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.33 136.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.847 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -72.94 107.6 5.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.015 0.436 . . . . 10.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.7 m -69.29 160.51 78.62 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.502 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.85 97.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.481 2.121 . . . . 10.0 112.095 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -103.75 121.81 46.84 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.829 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.63 123.24 12.32 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.305 2.003 . . . . 10.0 112.2 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.155 -0.926 . . . . 10.0 110.172 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -113.48 141.53 47.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 10.0 111.379 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -125.93 160.08 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.755 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -117.29 104.05 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.974 0.416 . . . . 10.0 110.994 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.25 134.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.755 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.86 135.83 53.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.922 0.392 . . . . 10.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.0 164.74 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.255 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.41 -21.31 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.909 0.385 . . . . 10.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -5.95 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.246 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.91 1.75 70.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HZ2' ' CD ' ' A' ' 34' ' ' GLU . 86.8 tttt -75.0 138.65 42.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 10.0 111.022 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -108.89 126.29 52.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.953 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -116.47 119.2 61.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.987 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.04 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.57 140.45 26.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 10.0 110.969 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.08 120.68 27.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.849 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.62 176.24 8.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -138.49 162.13 55.02 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.91 -28.47 77.73 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.388 2.059 . . . . 10.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 5.98 47.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.761 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -74.21 143.64 45.07 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.876 0.37 . . . . 10.0 110.223 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.72 ' HB ' ' OE1' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -91.27 149.08 21.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.887 -179.46 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.0 -40.38 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.477 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.72 ' OE1' ' HB ' ' A' ' 22' ' ' THR . 8.9 pm0 -64.82 -32.15 73.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 65.2 t30 -69.01 -38.04 79.02 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 22' ' ' THR . 57.6 t -63.62 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -59.48 -42.7 92.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.582 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.49 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.827 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.52 -40.85 92.96 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.02 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -73.95 -37.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 10.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.34 -37.1 84.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.75 -24.15 31.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 10.0 111.293 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -82.94 -49.58 9.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.637 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 74.7 mm-40 -97.3 -38.81 9.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.672 0.249 . . . . 10.0 111.672 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 13.4 22.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.5 -0.857 . . . . 10.0 112.349 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.91 122.94 66.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.42 137.74 82.93 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.878 2.385 . . . . 10.0 112.364 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.68 -25.91 80.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.076 2.517 . . . . 10.0 112.291 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.32 -22.27 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.504 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -109.17 10.05 25.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.079 0.466 . . . . 10.0 110.433 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -98.53 97.43 8.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -99.28 95.31 6.97 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.68 121.26 27.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.65 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 HG22 ' CE2' ' C' ' 468' ' ' PHE . 3.5 mp -132.53 127.3 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -122.57 115.6 22.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.313 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.42 37.12 27.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 10.0 112.089 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -14.64 63.78 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.93 -0.652 . . . . 10.0 113.923 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -101.88 127.78 48.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.104 0.452 . . . . 10.0 111.037 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -81.49 142.66 32.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.56 116.69 27.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 138.63 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.514 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.78 -8.76 54.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.71 11.51 61.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.731 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -124.23 178.01 5.56 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.513 -0.404 . . . . 10.0 110.896 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.0 p -115.95 175.83 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.48 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.98 -28.14 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.875 0.369 . . . . 10.0 110.806 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.8 m -71.22 -22.71 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.29 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.02 -26.2 63.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.033 0.444 . . . . 10.0 111.301 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -105.25 8.14 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.942 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.84 37.5 18.55 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.65 0.594 . . . . 10.0 110.889 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.08 116.7 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -101.38 -160.44 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.803 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -80.54 155.79 26.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.47 16.76 10.02 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.343 0.402 . . . . 10.0 111.878 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 m -85.81 150.49 24.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.686 0.279 . . . . 10.0 110.499 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -97.33 136.32 37.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.51 106.36 11.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.462 ' CB ' ' HB3' ' C' ' 467' ' ' MET . 43.9 m80 -83.56 130.11 34.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.054 0.454 . . . . 10.0 110.967 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.3 tp -109.33 125.96 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.539 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.39 136.73 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.618 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.23 145.76 27.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.302 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.526 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.4 OUTLIER -114.12 137.66 51.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.899 0.381 . . . . 10.0 110.606 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD11 ' CG1' ' C' ' 488' ' ' ILE . 18.3 mt -97.77 150.61 21.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.714 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -108.14 14.51 25.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.122 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.21 -162.41 35.64 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.483 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.523 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.228 -1.318 . . . . 10.0 111.563 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -105.19 134.92 47.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.124 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.05 160.59 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.953 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -121.95 126.53 48.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.521 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -111.13 119.51 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -101.74 119.66 39.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 10.0 110.795 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.5 p -85.88 170.94 11.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.737 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 71.7 mt -74.42 -10.09 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.503 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 0.29 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 36.75 26.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.1 -0.572 . . . . 10.0 111.985 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -122.45 133.43 54.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.99 140.17 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.565 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -103.58 127.16 51.05 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.1 mt -130.7 146.02 52.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.872 0.368 . . . . 10.0 111.644 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -96.27 117.39 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.114 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 m -139.21 173.94 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.939 0.4 . . . . 10.0 110.904 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -131.23 158.8 74.21 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.534 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.93 -33.14 81.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.361 2.041 . . . . 10.0 112.673 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -91.44 19.82 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 112.053 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.95 140.56 29.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.7 OUTLIER -82.49 148.38 28.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.178 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.12 -36.95 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.223 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.11 -40.56 90.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.976 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -66.95 -36.0 81.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.871 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.412 HG21 ' O ' ' B' ' 22' ' ' THR . 87.4 t -62.98 -42.06 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.96 -37.77 85.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.816 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.27 73.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.755 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 97.1 mttt -72.62 -35.79 67.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.863 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.04 -39.11 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 54.7 tt0 -63.03 -32.71 74.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -73.46 -25.81 60.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.822 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -97.07 -44.07 7.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.61 0.596 . . . . 10.0 112.61 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.6 -26.45 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.72 9.44 82.99 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.178 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.5 124.7 60.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 122.084 0.154 . . . . 10.0 110.683 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -54.75 142.13 74.45 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.003 2.468 . . . . 10.0 112.615 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 38.5 Cg_exo -59.93 -27.97 86.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.957 2.438 . . . . 10.0 112.762 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -65.81 -18.15 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -110.49 8.99 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.72 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.67 104.66 16.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.37 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -99.37 99.57 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.23 119.76 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.77 127.26 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.184 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -119.81 108.43 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.464 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.16 32.73 22.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.366 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.97 -19.45 54.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.875 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.523 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 39.6 mtmt -85.26 130.98 34.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.607 0.242 . . . . 10.0 110.651 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.32 132.01 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.55 139.25 30.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.841 0.353 . . . . 10.0 111.782 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -95.81 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.56 -42.22 82.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 46.81 3.68 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.91 -0.662 . . . . 10.0 113.21 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -140.11 170.24 16.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.65 160.44 17.24 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.7 -37.02 84.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.132 0.492 . . . . 10.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -68.71 -26.27 65.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.333 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -25.51 66.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.478 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -103.1 17.45 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 61.11 31.88 19.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.464 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -88.96 136.07 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.79 0.329 . . . . 10.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.12 -168.92 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -70.71 162.92 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 57.4 mt-10 67.98 7.37 5.76 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.611 0.569 . . . . 10.0 111.633 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.3 m -100.42 133.21 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.886 0.374 . . . . 10.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -100.52 134.93 42.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.091 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -109.14 146.76 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.803 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -98.77 133.26 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.5 tp -116.5 113.61 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.12 0.486 . . . . 10.0 111.138 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 69.5 t -103.46 140.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.809 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.37 132.68 36.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.748 0.308 . . . . 10.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -116.02 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.591 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.11 149.89 20.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 66.17 -165.2 0.23 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.726 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.24 32.87 24.57 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.338 -0.934 . . . . 10.0 111.791 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.513 -1.16 . . . . 10.0 111.139 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.518 0.199 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 56.01 29.05 13.71 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.732 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.9 m -64.94 -33.54 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.372 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -68.75 -35.1 76.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 10.0 110.103 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 69.0 mt -73.47 -40.81 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.847 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -60.24 -47.09 87.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.03 -37.58 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.59 -42.74 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.723 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.08 86.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.717 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -57.13 -39.0 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.738 -0.664 . . . . 10.0 111.173 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -71.73 -39.89 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.8 -31.49 53.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.35 -13.55 40.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.587 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -78.61 -53.81 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.491 0.186 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -70.49 -30.75 67.61 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.001 0.429 . . . . 10.0 110.341 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.493 ' O ' HG13 ' C' ' 471' ' ' VAL . 9.3 m-85 -125.93 78.38 69.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.916 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -84.72 9.95 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.365 2.043 . . . . 10.0 112.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -107.74 9.72 29.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.258 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.493 HG13 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -114.68 133.03 22.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.587 -0.278 . . . . 10.0 110.657 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -56.68 126.85 23.61 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.732 2.288 . . . . 10.0 112.241 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.44 -41.76 69.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.406 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -63.44 -28.07 69.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.633 0.254 . . . . 10.0 111.597 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 41.6 mt -79.02 -35.0 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.97 -42.18 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.21 -27.46 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.778 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.47 -49.13 64.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.33 -38.43 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 10.0 110.49 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -27.77 63.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.426 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.05 -3.98 59.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.231 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -112.2 -52.82 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -79.39 -40.55 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.354 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 63.13 37.23 11.58 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.17 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -160.49 129.35 4.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 10.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.49 -27.93 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -76.8 5.14 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.483 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.45 ' CG1' HD11 ' A' ' 73' ' ' LEU . 29.0 mt -122.61 -42.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -8.07 55.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 10.0 111.594 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.526 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 18.9 t70 -95.12 -61.05 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -26.27 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.907 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 8.1 tt -65.96 -20.35 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.61 0.243 . . . . 10.0 111.267 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -21.09 60.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 10.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -108.86 -36.43 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.649 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 150.38 116.42 0.77 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.071 -1.062 . . . . 10.0 113.185 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -167.21 -59.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.136 0.493 . . . . 10.0 109.725 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 70.7 mt -93.87 138.23 20.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.145 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.08 136.43 43.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 21.7 m -86.79 158.8 53.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 108.72 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.518 2.145 . . . . 10.0 112.149 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . 0.422 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 85.3 t80 -116.76 133.9 23.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.275 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . 0.422 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 21.0 Cg_endo -62.43 113.29 1.87 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.635 2.223 . . . . 10.0 111.84 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.256 1.397 0 CA-C-O 117.919 -1.038 . . . . 10.0 109.601 -179.68 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -112.13 144.5 41.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.057 0.456 . . . . 10.0 111.456 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -131.7 172.15 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.125 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.0 m-85 -122.79 117.15 25.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.108 0.48 . . . . 10.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.32 115.53 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -96.48 133.96 40.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 10.0 110.826 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 164.62 12.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.581 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.25 -7.17 16.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -2.01 55.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.154 0.502 . . . . 10.0 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.54 -23.55 35.39 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.355 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.51 140.48 58.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.014 0.435 . . . . 10.0 111.185 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.36 118.28 32.29 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.24 127.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -93.8 110.26 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.88 148.38 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.784 0.326 . . . . 10.0 111.294 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -111.59 103.47 11.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.822 -0.806 . . . . 10.0 108.822 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.57 171.85 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.153 0.502 . . . . 10.0 111.336 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -113.01 159.26 35.31 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.549 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.19 -15.55 40.62 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 122.392 2.061 . . . . 10.0 112.583 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -91.23 -4.03 56.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.491 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.3 132.5 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.705 0.288 . . . . 10.0 110.726 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -83.1 155.32 23.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.131 178.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 47.4 mm -56.54 -38.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.721 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.7 97.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.84 -31.88 72.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.144 0.497 . . . . 10.0 110.18 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' THR . 88.8 t -66.8 -45.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 17.5 mtmt -64.21 -33.37 75.64 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.123 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.0 92.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.404 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -63.81 -39.05 93.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.83 -37.47 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.96 -37.85 87.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.52 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.04 -12.95 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.039 0.447 . . . . 10.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -104.75 -73.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.04 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.66 -36.68 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.275 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 29.3 11.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.112 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -104.35 126.72 30.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.11 151.54 58.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.65 2.233 . . . . 10.0 112.414 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.15 -14.34 28.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.74 2.294 . . . . 10.0 112.579 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.01 -42.45 84.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.277 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -98.67 17.34 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.958 -178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -104.42 96.9 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.074 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -104.31 109.15 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -90.33 125.65 35.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 10.0 111.335 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.77 138.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.554 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.425 ' HB3' HD21 ' A' ' 50' ' ' LEU . 66.2 t80 -138.45 121.15 16.34 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.91 25.02 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.493 0.496 . . . . 10.0 111.578 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.43 66.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.885 -0.674 . . . . 10.0 113.547 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -127.34 142.11 51.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.444 -0.445 . . . . 10.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.68 144.79 35.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.94 0.4 . . . . 10.0 111.003 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 45' ' ' PHE . 13.9 mt -96.97 143.2 28.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.825 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 48.3 mt-10 -95.62 145.98 24.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -60.31 -34.38 73.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.903 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.08 29.39 4.27 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.737 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.1 mmt180 -128.01 163.94 23.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.154 0.477 . . . . 10.0 110.072 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.8 p -106.83 172.68 6.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.547 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.99 -30.05 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.263 0.554 . . . . 10.0 109.676 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -69.01 -26.85 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.93 -41.01 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.26 13.53 31.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.66 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 57.2 36.16 27.1 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.516 0.51 . . . . 10.0 111.242 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.29 112.22 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -97.6 -163.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.356 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.56 154.0 32.79 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.168 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.21 14.01 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.683 0.614 . . . . 10.0 112.093 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -77.29 143.1 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.907 -0.317 . . . . 10.0 110.273 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.2 m -98.26 118.52 35.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.897 0.379 . . . . 10.0 110.937 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.81 146.38 30.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.702 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -105.74 135.1 47.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.596 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -113.05 104.74 12.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.179 0.514 . . . . 10.0 110.855 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.88 135.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.0 mt -89.52 159.49 17.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.052 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.8 ttt180 -138.37 148.26 44.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.927 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.434 HD11 ' CG1' ' C' ' 488' ' ' ILE . 73.0 mt -135.43 138.24 43.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.62 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.79 7.95 3.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 10.0 110.712 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.03 -175.53 30.06 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 CA-C-O 118.416 -1.213 . . . . 10.0 111.998 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -100.71 139.12 36.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.125 0.488 . . . . 10.0 111.256 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.46 165.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.724 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.8 m-85 -116.96 113.55 22.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.771 0.319 . . . . 10.0 111.216 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.82 116.43 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -102.44 133.93 46.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 10.0 111.22 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 p -93.17 169.87 10.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.2 -33.28 74.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.715 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -31.35 70.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.464 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.74 -10.47 9.02 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.66 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 79.4 tttt -70.2 123.75 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.737 0.303 . . . . 10.0 110.619 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -103.51 124.51 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.78 131.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.694 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.35 136.95 32.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -135.29 146.18 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 10.0 111.557 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -92.4 116.69 29.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.492 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.76 166.34 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.639 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 50.7 mm-40 -124.44 161.87 45.51 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 -24.03 65.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.281 1.988 . . . . 10.0 112.631 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.32 14.55 23.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.457 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -81.91 135.26 35.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 10.0 110.715 -179.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.414 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.9 OUTLIER -86.58 148.95 25.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.138 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.31 -36.26 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.55 . . . . 10.0 110.445 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.07 -38.83 90.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -71.88 -37.62 70.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.081 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.414 HG21 ' O ' ' B' ' 22' ' ' THR . 98.9 t -62.0 -42.38 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.111 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -65.36 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.439 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.79 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.224 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 32.5 mttt -69.35 -37.08 77.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 37.9 mt -71.67 -31.07 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 10.0 109.584 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 41.9 tt0 -67.11 -26.62 66.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.257 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.94 -28.36 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.011 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -88.35 -54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 61.2 mm-40 -91.82 -30.97 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.731 0.271 . . . . 10.0 111.731 -178.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.1 23.3 32.73 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.779 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.17 125.72 55.55 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.852 -0.205 . . . . 10.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.26 138.6 83.99 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.762 2.308 . . . . 10.0 112.151 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.9 -20.3 59.1 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.145 2.563 . . . . 10.0 113.56 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -18.48 47.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 10.0 110.816 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.6 mt-30 -104.94 0.17 27.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.977 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -94.0 115.11 27.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.548 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -119.71 102.88 8.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.796 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.71 124.78 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.046 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.92 131.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.544 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -125.01 115.33 20.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.044 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.79 28.85 18.58 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.516 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.63 76.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.842 -0.694 . . . . 10.0 112.652 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -96.68 131.38 43.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.818 0.342 . . . . 10.0 110.71 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -79.09 126.5 30.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.103 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.1 mt -83.41 137.15 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.854 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.02 147.48 26.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.26 -50.48 69.39 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.563 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.78 39.26 1.98 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.392 -0.432 . . . . 10.0 113.938 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -139.1 161.16 38.07 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -107.97 170.28 8.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.857 0.36 . . . . 10.0 110.872 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.675 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -28.81 68.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.255 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -62.84 -33.46 75.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.128 0.49 . . . . 10.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -102.56 13.47 34.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.522 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 59.05 32.7 22.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.496 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.28 115.75 23.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.966 0.412 . . . . 10.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.64 -167.62 1.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.009 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.403 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 56.4 pttt -77.66 155.37 31.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 69.58 12.62 8.19 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.68 0.613 . . . . 10.0 111.822 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 m -78.88 140.54 38.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 10.0 110.821 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.4 m -99.35 122.22 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.446 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -107.3 144.52 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.917 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -102.1 127.05 49.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.482 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.1 tp -106.44 112.47 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.181 0.515 . . . . 10.0 111.016 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.76 125.86 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.772 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.86 125.69 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.138 0.494 . . . . 10.0 111.169 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 51.6 ttt180 -98.97 100.24 11.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.167 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.942 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -141.67 79.33 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.13 0.491 . . . . 10.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.05 -163.66 33.92 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.614 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 118.659 -1.079 . . . . 10.0 112.132 179.656 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.67 0.271 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.62 33.82 18.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.178 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -49.13 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -62.37 -38.37 89.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 10.0 110.588 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.96 -40.39 87.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.394 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -65.96 -44.65 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.379 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.958 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 31.5 mtm -66.39 -37.88 86.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.425 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.82 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.451 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -60.37 -38.66 84.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.474 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.66 -36.11 81.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 70.7 mt -70.28 -35.45 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.609 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -64.4 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.776 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.74 -24.16 59.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 47.8 mtm -91.55 -44.5 9.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 10.0 110.256 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -123.9 78.94 57.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.285 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.49 8.62 2.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.293 1.995 . . . . 10.0 112.615 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.71 -19.78 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.458 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.35 130.28 34.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.395 -0.224 . . . . 10.0 110.395 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.52 128.36 27.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.871 2.38 . . . . 10.0 112.931 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.84 -43.03 63.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -63.75 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.573 0.225 . . . . 10.0 111.495 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 22.7 mt -74.38 -32.53 62.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.9 -41.03 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.277 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.57 -29.93 70.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.871 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -57.56 -56.12 26.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.2 t70 -67.92 -31.11 70.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.054 0.454 . . . . 10.0 110.343 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.5 OUTLIER -65.71 -13.38 59.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.887 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.11 -24.41 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 10.0 110.062 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.54 -58.55 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.953 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.8 p -87.26 -37.47 17.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.422 . . . . 10.0 109.882 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 10.0 mtt180 63.44 27.7 15.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.121 -0.945 . . . . 10.0 111.701 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.49 126.97 16.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.79 0.329 . . . . 10.0 111.212 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.21 -26.1 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.343 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.37 -3.28 36.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . 0.434 ' CG1' HD11 ' A' ' 73' ' ' LEU . 48.0 mt -119.12 -45.25 2.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.884 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.431 HG23 ' HB3' ' C' ' 479' ' ' ASP . 53.1 m -55.51 -62.56 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.719 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -39.39 85.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.246 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.503 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 25.2 t0 -62.72 -50.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.79 -45.96 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.706 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.34 -42.24 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.08 -19.74 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -101.76 -18.67 15.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.004 0.43 . . . . 10.0 110.741 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 98.38 2.47 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -148.62 -46.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.039 0.447 . . . . 10.0 110.103 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -93.76 141.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -59.05 136.6 58.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 10.0 111.614 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 33.0 m -92.17 169.19 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.53 81.9 0.42 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.397 2.065 . . . . 10.0 112.104 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -86.72 130.1 50.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.252 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 104.14 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.515 2.143 . . . . 10.0 111.892 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.173 -0.918 . . . . 10.0 110.065 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.705 -0.479 . . . . 10.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -103.8 137.59 41.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.861 0.362 . . . . 10.0 110.913 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.03 162.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.23 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -115.4 133.44 56.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.48 117.88 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -90.19 141.43 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.087 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -117.13 166.65 11.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.728 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.73 -7.27 51.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.24 -9.48 38.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.78 0.324 . . . . 10.0 111.156 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.2 17.87 41.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.841 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -104.84 128.2 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.814 0.34 . . . . 10.0 110.744 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.22 108.89 21.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 10.0 110.138 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mt -89.68 151.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.393 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 129.09 49.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.395 -0.595 . . . . 10.0 109.395 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -137.04 156.2 48.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 10.0 111.192 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -100.49 120.79 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.413 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.2 m -140.72 177.37 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.91 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' HD11 ' A' ' 56' ' ' LEU . 22.8 mm-40 -135.75 158.85 73.28 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.98 -34.87 58.53 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.789 2.326 . . . . 10.0 113.621 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 m -85.8 10.66 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.11 149.07 33.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.4 145.06 24.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.847 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.28 -40.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.23 -36.72 80.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.013 0.435 . . . . 10.0 110.11 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.6 t30 -67.23 -37.28 83.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.791 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.42 -39.85 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.16 -41.04 97.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.215 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.81 82.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.959 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 80.0 mttt -67.96 -33.97 75.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.21 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.86 -38.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.525 0.679 . . . . 10.0 109.25 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.33 -52.33 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.066 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -81.85 48.32 1.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.745 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -161.91 -58.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.482 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.16 -27.69 19.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.64 49.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.799 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.9 mt -95.62 121.16 62.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.25 137.76 72.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.687 2.258 . . . . 10.0 112.052 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.51 -23.8 33.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.284 2.656 . . . . 10.0 112.88 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.45 -30.98 71.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.072 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.43 -4.81 33.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.686 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -84.91 102.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.28 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -104.19 87.47 2.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.69 125.38 26.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.405 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.79 141.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.958 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -137.14 116.35 12.58 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 22.38 13.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.543 0.527 . . . . 10.0 111.378 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA3' HE22 ' C' ' 470' ' ' GLN . . . 91.97 11.23 60.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 10.0 113.272 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -126.08 146.45 49.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.21 147.7 28.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.96 0.41 . . . . 10.0 111.389 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -97.6 134.56 40.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.299 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -84.91 136.62 33.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.738 0.304 . . . . 10.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.79 -39.35 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.921 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.26 39.01 2.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.323 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -135.33 162.76 31.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 63.7 p -108.79 168.89 9.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.261 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD11 ' O ' ' A' ' 18' ' ' GLU . 57.8 mt -63.94 -34.13 77.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 10.0 110.389 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -22.59 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.142 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -65.03 -41.87 94.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.993 0.425 . . . . 10.0 110.554 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.37 8.36 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.512 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 t30 63.41 32.01 14.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 10.0 111.126 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -75.72 124.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.997 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.13 -163.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.987 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -68.35 149.54 49.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.249 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 71.61 2.41 4.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.737 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -68.55 135.25 51.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.802 0.334 . . . . 10.0 110.395 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -101.68 115.34 30.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.097 0.475 . . . . 10.0 110.951 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -94.03 149.29 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.663 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -112.54 121.53 45.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.679 0.276 . . . . 10.0 110.521 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.9 tp -97.39 103.51 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.462 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.68 129.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.454 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -89.85 119.95 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -120.69 126.07 49.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.517 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.66 178.77 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.376 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -118.49 19.45 13.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.179 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.61 131.3 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.678 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.795 -1.003 . . . . 10.0 111.47 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.872 0.367 . . . . 10.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -99.41 135.4 40.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.414 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.09 156.83 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.934 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.4 m-85 -115.72 112.32 21.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.38 109.87 26.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.301 -0.409 . . . . 10.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -99.01 125.23 44.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 10.0 110.987 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.48 162.08 16.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.621 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -56.28 -28.28 58.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.701 0.286 . . . . 10.0 111.6 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -10.95 60.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.924 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.71 -24.05 29.57 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.372 -0.691 . . . . 10.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -56.82 124.94 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.197 -0.501 . . . . 10.0 110.99 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -110.7 111.69 23.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -95.09 132.82 38.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.183 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -98.88 119.59 37.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -123.13 151.73 41.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.001 0.429 . . . . 10.0 110.968 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -105.57 119.77 39.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.57 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.3 m -138.17 172.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.93 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -126.01 158.43 66.0 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.35 -28.41 53.24 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.395 2.064 . . . . 10.0 112.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.15 10.4 14.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.977 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.36 142.31 27.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -92.87 153.42 18.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.772 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 47.8 mm -58.68 -39.17 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.458 . . . . 10.0 109.82 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.82 -37.46 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.656 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -73.57 -38.03 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.437 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.03 -43.05 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.439 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 44.5 mtpt -62.43 -33.75 75.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.087 0.47 . . . . 10.0 110.606 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.62 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.44 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -72.63 -36.74 68.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.211 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.25 -36.48 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.36 0.6 . . . . 10.0 109.385 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -68.17 -29.12 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.339 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.0 -43.0 36.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -86.37 -51.73 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.69 0.281 . . . . 10.0 111.603 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.05 10.36 14.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.49 -0.862 . . . . 10.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -88.13 122.24 70.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.08 140.56 49.97 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.187 2.591 . . . . 10.0 112.291 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.16 -35.21 98.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.874 2.383 . . . . 10.0 112.781 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -29.28 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 10.0 111.052 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.55 2.21 54.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.943 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -99.13 123.77 43.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.291 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -119.34 100.95 7.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -89.58 121.64 31.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.94 134.82 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.741 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.626 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 65.8 t80 -132.49 118.15 18.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.043 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 22.29 13.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.18 -19.54 51.12 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.659 -0.781 . . . . 10.0 113.369 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 25.3 pttt -97.3 138.53 34.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.175 0.487 . . . . 10.0 110.62 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.32 134.58 35.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' B' ' 59' ' ' TYR . 13.9 mt -88.43 132.52 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.181 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.433 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.98 148.96 25.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.599 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.27 -40.12 95.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.595 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.45 3.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.114 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 24.8 mmt180 -138.26 160.49 39.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.8 p -104.22 165.5 11.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.256 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.6 mt -65.8 -31.22 72.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.062 0.458 . . . . 10.0 110.287 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -22.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.815 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -70.16 -27.39 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 10.0 111.242 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.422 ' CD2' HD23 ' B' ' 50' ' ' LEU . 85.5 m-85 -106.8 7.11 30.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.53 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 61.87 40.08 13.01 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.797 0.686 . . . . 10.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.8 mt -81.76 115.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.841 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.26 -164.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.673 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 151.63 38.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.741 -0.209 . . . . 10.0 110.493 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 70.66 6.58 5.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.197 0.599 . . . . 10.0 112.016 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -66.43 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 10.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.7 m -101.03 115.42 30.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.561 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -103.23 147.34 27.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.89 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.3 128.67 47.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.268 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 tp -106.16 104.13 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 10.0 110.72 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.59 141.39 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.76 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.24 140.55 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 10.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 72' ' ' ARG . 23.7 ttt180 -125.1 100.94 6.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.656 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 34.8 mt -105.94 107.95 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.021 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 47.03 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 10.0 110.709 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.46 52.31 40.78 Favored Glycine 0 C--O 1.228 -0.24 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.351 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.922 -0.932 . . . . 10.0 111.411 -179.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.29 0.09 . . . . 10.0 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . 0.447 ' OD1' HD13 ' C' ' 457' ' ' LEU . 0.9 OUTLIER 61.45 23.95 14.13 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.344 0.403 . . . . 10.0 111.653 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -45.14 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.2 72.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.056 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . 0.447 HD13 ' OD1' ' C' ' 454' ' ' ASN . 22.0 mt -66.62 -39.36 88.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.18 -39.69 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.849 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.67 91.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.826 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 30.6 mtm -68.49 -38.68 81.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.514 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.02 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.546 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -60.43 -44.35 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.683 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -64.28 -35.24 80.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.907 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.1 -36.55 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -62.9 -29.74 71.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.355 0.598 . . . . 10.0 110.046 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -68.12 -33.91 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 10.0 111.106 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 2.5 mmm -83.45 -42.36 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.53 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.484 ' O ' HG13 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.23 92.39 42.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.552 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.3 10.75 3.1 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.394 2.063 . . . . 10.0 113.5 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . 0.431 HE22 ' HA3' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -115.41 17.67 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 10.0 111.421 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.484 HG13 ' O ' ' C' ' 468' ' ' PHE . 14.8 p -119.93 128.43 25.87 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . 0.447 ' O ' HG23 ' C' ' 476' ' ' VAL . 31.8 Cg_exo -59.73 132.6 46.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 10.0 112.523 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.26 -44.63 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.885 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -63.58 -31.53 72.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 21.9 mt -74.02 -30.64 62.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.887 0.375 . . . . 10.0 110.071 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . 0.447 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.4 t -71.07 -42.25 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.76 -31.17 71.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.429 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.02 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.409 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.6 t70 -71.63 -37.68 70.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -36.78 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.11 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -88.21 0.99 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.008 0.432 . . . . 10.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -54.33 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.4 p -89.82 -35.47 15.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.434 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 65.07 28.25 12.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.743 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.4 t -147.44 118.05 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.361 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.77 -27.37 42.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.918 0.39 . . . . 10.0 110.929 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.78 -25.84 65.8 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.838 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -96.22 -40.85 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.126 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.409 HG23 ' HB3' ' C' ' 479' ' ' ASP . 85.5 m -57.31 -55.19 37.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.487 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -29.59 70.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.731 0.301 . . . . 10.0 110.607 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.17 -40.18 74.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 10.0 109.945 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.336 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 44.0 mt -78.25 -37.47 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 10.0 109.978 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -45.24 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.426 -0.806 . . . . 10.0 111.298 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -80.07 -70.35 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.557 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . 0.422 ' O ' ' HD3' ' C' ' 497' ' ' ARG . . . 160.67 89.02 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.348 -0.929 . . . . 10.0 112.703 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' C' ' 496' ' ' GLY . 0.9 OUTLIER -136.86 -46.5 0.59 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.59 126.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.32 124.7 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.964 0.411 . . . . 10.0 111.039 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.4 m -79.01 163.05 62.2 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.12 90.67 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.587 2.191 . . . . 10.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -89.35 132.03 38.65 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.939 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.19 114.29 2.13 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.998 2.465 . . . . 10.0 112.66 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.252 1.222 0 CA-C-O 117.884 -1.055 . . . . 10.0 109.203 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.3 ptt? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -94.29 135.88 35.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.889 0.376 . . . . 10.0 111.101 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -121.03 163.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.053 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -119.59 116.41 25.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.17 116.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.47 140.09 29.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.816 0.341 . . . . 10.0 110.085 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.0 p -115.6 168.2 10.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.52 -10.19 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.45 1.52 57.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.684 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 7.08 87.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.271 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -92.11 142.42 27.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.01 0.405 . . . . 10.0 110.513 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -108.83 108.09 18.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.955 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.25 125.13 41.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.594 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -100.94 131.52 46.78 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.67 151.44 48.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 10.0 111.516 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.38 112.43 24.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 1' ' ' MET . 18.2 m -132.18 162.28 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD11 ' A' ' 56' ' ' LEU . 37.1 mm-40 -121.81 155.26 60.51 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -50.78 -34.15 43.49 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 122.381 2.054 . . . . 10.0 113.465 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -84.27 5.6 26.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.14 154.49 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.004 0.431 . . . . 10.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 143.93 29.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.659 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.61 -39.69 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 10.0 110.478 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.33 -38.6 80.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.652 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -67.79 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.93 -40.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.603 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.75 -37.81 85.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.858 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.61 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.491 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.04 -40.54 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.019 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -67.03 -38.44 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.78 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -65.91 -35.88 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.016 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.28 -34.16 70.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.177 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -83.55 -53.27 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -85.08 -52.35 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.15 5.5 17.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.525 -0.845 . . . . 10.0 111.891 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.13 123.35 68.84 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.6 143.76 87.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.617 2.211 . . . . 10.0 112.19 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.1 Cg_exo -57.73 -24.45 63.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 10.0 112.656 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.15 -30.64 69.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.442 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -103.73 15.74 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.091 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.37 101.95 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 10.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -104.57 91.89 4.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.316 0.579 . . . . 10.0 109.489 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -77.79 127.7 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.954 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.22 137.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.195 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -137.43 122.46 19.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.36 27.04 16.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.31 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -7.99 80.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.119 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -104.58 145.52 30.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.2 143.18 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.56 139.45 30.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 143.81 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 10.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.93 -26.08 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.09 11.37 65.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.733 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -119.26 164.65 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.128 0.464 . . . . 10.0 110.718 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -105.89 179.48 4.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.735 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.1 mt -69.21 -37.21 77.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 10.0 111.476 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -15.82 63.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.39 -22.52 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -114.91 9.15 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.47 36.37 17.2 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.483 -0.78 . . . . 10.0 111.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.33 110.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.12 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -96.48 -172.83 2.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.768 0.318 . . . . 10.0 111.523 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 64.95 15.44 9.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.82 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 153.49 38.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.719 0.295 . . . . 10.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.7 m -102.87 119.98 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 10.0 111.238 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.63 141.18 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 50.1 m80 -104.49 121.43 43.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.968 0.413 . . . . 10.0 110.971 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -97.48 98.9 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 10.0 110.208 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.9 t -87.02 128.43 39.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 30.1 mt -78.78 159.08 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.505 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -137.6 141.65 41.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.71 -178.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mp -146.3 144.88 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.679 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -107.09 20.52 18.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.158 0.504 . . . . 10.0 109.824 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.18 173.75 14.41 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.496 -1.169 . . . . 10.0 111.922 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -115.62 137.38 52.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.957 0.408 . . . . 10.0 111.199 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -123.45 169.09 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.668 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -121.97 133.83 54.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.742 0.306 . . . . 10.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.4 117.05 53.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.738 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -97.42 132.62 42.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.028 0.442 . . . . 10.0 110.465 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 1.2 p -99.52 170.34 8.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.607 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.6 -14.5 62.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.382 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -7.5 58.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.813 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.74 9.98 63.68 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.02 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 82.9 tttt -87.0 127.34 35.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.294 . . . . 10.0 110.701 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -105.02 103.64 13.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.34 143.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.215 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -104.07 132.16 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -133.19 145.89 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 10.0 111.669 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -91.7 122.12 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.732 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 m -142.72 170.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.661 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.8 mm-40 -131.09 163.72 47.21 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.93 -33.71 89.79 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 121.963 1.775 . . . . 10.0 112.037 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.25 9.75 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.136 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -76.55 128.93 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 10.0 110.523 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.11 145.3 35.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.18 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.42 -38.47 63.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.221 0.534 . . . . 10.0 109.736 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.95 -34.13 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.79 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.4 -35.43 73.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.303 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.694 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.512 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.3 mmmm -62.51 -38.23 89.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.83 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . . . -69.43 -30.18 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.64 -36.39 65.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.115 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -71.8 -39.26 67.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.446 ' OE1' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.14 -25.43 66.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.392 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.09 -46.88 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.101 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -79.37 -46.82 16.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -89.96 -41.74 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.127 0.788 . . . . 10.0 113.127 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.43 41.42 5.77 Favored Glycine 0 C--N 1.322 -0.226 0 C-N-CA 120.205 -0.997 . . . . 10.0 111.527 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.74 129.27 24.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.93 126.54 18.93 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.743 2.295 . . . . 10.0 112.386 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -54.43 -28.43 54.09 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.899 2.399 . . . . 10.0 113.227 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -14.97 62.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.344 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -105.18 -3.33 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.01 0.433 . . . . 10.0 110.542 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.512 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 77.9 mt-30 -89.66 106.58 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.168 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -109.79 102.26 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.7 122.8 31.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.337 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.68 128.0 75.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.428 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -105.2 100.5 10.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.969 0.414 . . . . 10.0 111.179 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.77 18.53 4.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.725 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.32 -27.7 6.0 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.201 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -88.73 116.74 27.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 10.0 110.41 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.29 135.6 52.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.216 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -92.13 129.46 38.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.281 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -94.73 134.14 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.667 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.87 -34.22 40.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 19.52 10.42 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.178 -0.534 . . . . 10.0 113.726 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -124.83 167.71 14.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.097 0.449 . . . . 10.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.47 162.61 14.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.009 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.25 -36.76 83.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 10.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.473 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.3 -41.8 96.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -89.15 4.15 49.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.013 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 61.38 31.56 19.17 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.094 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.13 113.34 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.066 0.46 . . . . 10.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.99 -170.12 1.59 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.622 -0.717 . . . . 10.0 109.196 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 12.2 pttp -69.75 166.19 19.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.8 mp0 77.13 -27.26 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.697 0.623 . . . . 10.0 111.343 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.432 ' H ' ' C ' ' B' ' 63' ' ' LYS . 2.0 m -62.54 133.54 55.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 10.0 111.289 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.0 m -104.71 127.42 52.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.678 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.47 141.68 31.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.783 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.74 120.06 37.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -102.39 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.005 0.431 . . . . 10.0 111.294 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.82 123.85 56.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.811 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 mt -91.25 115.84 28.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.916 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.473 ' NH1' ' HD3' ' B' ' 74' ' ' ARG . 30.2 ttt180 -90.61 88.09 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 10.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.53 115.09 26.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.473 ' HD3' ' NH1' ' B' ' 72' ' ' ARG . 40.2 mtm180 -109.27 161.62 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.208 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.53 -176.46 18.22 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.041 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.375 -1.236 . . . . 10.0 112.015 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.49 0.186 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 66.89 16.36 10.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 10.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -67.89 -38.78 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.125 0.488 . . . . 10.0 110.237 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.52 -40.99 89.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -62.47 -45.69 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.36 81.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.3 mtm -62.08 -37.41 84.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.26 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.964 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.4 -33.93 77.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.865 0.364 . . . . 10.0 110.043 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.54 -37.24 86.56 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 72.6 mt -72.5 -38.52 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.89 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.5 -33.31 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.6 -21.92 61.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.458 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 467' ' ' MET . . . . . 0.579 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 56.0 mmm -91.04 -43.34 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.748 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.429 ' O ' HG13 ' C' ' 471' ' ' VAL . 0.5 OUTLIER -120.92 82.63 36.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.794 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.97 43.76 1.54 Allowed 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.937 2.425 . . . . 10.0 112.578 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -146.94 17.61 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.475 . . . . 10.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.429 HG13 ' O ' ' C' ' 468' ' ' PHE . 8.5 p -123.22 135.66 26.21 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.575 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 129.49 32.3 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.202 1.935 . . . . 10.0 111.778 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -54.89 -43.36 73.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 10.0 112.018 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -65.83 -27.19 68.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.67 0.272 . . . . 10.0 111.581 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.09 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.919 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.38 -38.56 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.796 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.53 -49.22 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.279 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.77 -34.17 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.878 -0.329 . . . . 10.0 110.887 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -30.47 69.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 10.0 110.74 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -81.39 -10.2 59.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 10.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.41 -56.6 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.44 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.4 p -80.01 -39.23 30.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.333 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 65.12 28.74 12.22 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 12.5 t -150.34 120.79 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.904 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.53 -26.36 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.95 -22.44 63.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.15 -34.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.706 -0.225 . . . . 10.0 111.509 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.8 m -62.63 -60.08 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.694 0.257 . . . . 10.0 111.694 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -34.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.504 0.669 . . . . 10.0 111.046 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.505 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 17.8 t0 -70.05 -49.37 51.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.947 -1.024 . . . . 10.0 111.68 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -53.88 -28.38 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.769 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.62 -39.43 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 10.0 110.389 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.27 -45.51 39.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.81 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.27 21.1 2.86 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.942 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -73.44 -29.07 62.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.34 0.59 . . . . 10.0 109.973 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.89 133.19 51.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.111 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.5 122.63 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 10.0 110.717 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 19.1 m -83.59 158.07 63.43 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.64 94.77 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.551 2.167 . . . . 10.0 111.695 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -122.48 137.25 27.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.068 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.46 132.0 45.97 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.617 2.211 . . . . 10.0 112.072 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.903 -1.046 . . . . 10.0 109.397 -179.644 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.985 0.421 . . . . 10.0 110.06 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -93.64 140.18 29.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.309 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.5 165.64 27.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.004 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' THR . 56.8 m-85 -116.77 114.88 24.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.651 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.98 115.32 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -96.05 137.65 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.847 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -113.4 172.04 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.77 -17.99 64.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.056 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 p -89.64 0.34 57.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 10.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 -5.49 84.8 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.135 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 13' ' ' ILE . 61.2 tttp -71.24 134.67 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.748 0.309 . . . . 10.0 110.521 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -113.86 109.78 19.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.232 0.539 . . . . 10.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG12 ' HE3' ' A' ' 11' ' ' LYS . 6.1 mt -88.86 138.3 19.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.285 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.91 120.02 40.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.742 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.9 150.47 52.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.996 0.427 . . . . 10.0 111.832 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.26 113.49 25.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.321 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 ' O ' ' HG2' ' A' ' 1' ' ' MET . 16.1 m -133.39 169.59 21.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.372 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 56' ' ' LEU . 28.7 mm-40 -133.92 158.72 74.75 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.09 -37.29 68.45 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.294 1.996 . . . . 10.0 112.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.73 7.38 8.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.462 0.541 . . . . 10.0 112.462 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -81.75 132.48 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 142.09 36.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.605 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -52.87 -41.07 38.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.901 0.381 . . . . 10.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.52 -42.7 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.618 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.26 -36.44 84.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.16 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' ILE . 96.4 t -61.11 -44.93 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.786 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -64.28 -32.71 74.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.5 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.03 90.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.148 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.29 -39.13 91.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.888 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 26' ' ' VAL . 40.3 mt -71.5 -38.07 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.651 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -83.14 -52.91 6.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.854 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -77.28 -67.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.875 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.29 12.32 4.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.337 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.45 126.61 63.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.6 Cg_exo -50.93 143.12 31.61 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.782 2.321 . . . . 10.0 112.623 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 Cg_exo -61.93 -19.09 64.63 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.725 2.283 . . . . 10.0 113.492 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.18 -20.52 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 10.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -97.67 1.96 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 10.0 109.803 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.54 101.87 13.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.308 -0.86 . . . . 10.0 109.958 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 9.9 mtp180 -98.25 108.53 21.25 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.1 mt -88.66 119.52 29.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.004 0.43 . . . . 10.0 110.929 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.7 mp -114.83 133.45 60.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.33 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -139.19 126.87 21.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.274 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 22.03 12.53 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.76 20.52 50.45 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.35 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -143.15 162.02 36.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.841 0.32 . . . . 10.0 110.227 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.12 150.39 22.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.759 0.314 . . . . 10.0 110.688 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.79 145.85 29.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.39 150.77 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.627 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.46 -32.16 68.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.35 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.57 35.54 4.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.995 -0.621 . . . . 10.0 113.286 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -130.02 160.39 33.81 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.2 p -99.61 178.57 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.528 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 18' ' ' GLU . 87.7 mt -73.77 -32.38 63.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.064 0.459 . . . . 10.0 109.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -20.78 63.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.637 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -60.65 -37.07 80.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.977 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.86 15.27 25.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.932 -0.577 . . . . 10.0 110.789 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 58.62 42.28 20.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.934 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.52 127.85 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.156 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -121.55 -162.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.0 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -68.94 148.13 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.332 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 62.65 27.03 15.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.744 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.6 m -87.31 144.51 26.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.7 m -101.74 124.9 48.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.765 0.317 . . . . 10.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.79 142.67 45.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -101.44 128.19 47.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.918 0.389 . . . . 10.0 110.23 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.23 101.25 10.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.253 0.549 . . . . 10.0 110.675 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 74.8 t -89.55 134.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.147 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.1 168.04 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.195 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 23.0 ttt180 -138.4 112.01 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.746 0.308 . . . . 10.0 110.691 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -138.95 99.12 3.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.182 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -110.09 2.91 19.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.989 0.423 . . . . 10.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.25 62.82 0.57 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.085 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.532 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.811 0 CA-C-O 117.784 -1.565 . . . . 10.0 110.969 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -110.44 132.96 53.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.588 0.232 . . . . 10.0 111.182 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.14 158.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -115.47 124.43 51.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.709 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 121.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -109.63 132.94 53.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 10.0 111.178 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -95.95 169.39 10.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.16 -19.17 65.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.87 0.367 . . . . 10.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 -10.45 58.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.258 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 -15.51 58.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.037 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -63.77 114.07 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 10.0 110.437 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -109.08 125.89 52.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.425 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.9 160.17 16.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.101 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -112.04 131.77 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.213 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -127.97 147.44 50.49 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.13 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -93.76 123.03 36.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.258 0.551 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.17 -179.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.552 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.4 mm-40 -146.27 164.06 26.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.81 -32.25 65.68 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.389 2.059 . . . . 10.0 113.002 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.4 10.15 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.233 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.67 149.62 26.39 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.215 -0.303 . . . . 10.0 110.239 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.404 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -100.73 145.26 28.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.82 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.04 -40.41 72.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.158 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.44 -37.36 80.69 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.24 0.543 . . . . 10.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.455 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.8 t30 -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.404 HG21 ' O ' ' B' ' 22' ' ' THR . 78.3 t -62.12 -42.21 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.716 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -64.01 -33.39 75.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.869 0.366 . . . . 10.0 110.633 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.995 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.4 mttt -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.512 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.04 -39.05 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.726 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.77 -37.2 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.18 -16.99 60.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.935 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -106.32 -52.59 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.8 -14.79 38.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.33 21.06 79.98 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.983 -0.627 . . . . 10.0 113.101 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.99 121.43 64.17 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.68 -0.306 . . . . 10.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.26 134.72 65.97 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.675 2.25 . . . . 10.0 112.236 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.63 -27.42 41.68 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.148 2.566 . . . . 10.0 113.38 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -21.36 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 10.0 111.147 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -103.52 11.1 36.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.557 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -104.9 133.2 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.484 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -139.06 104.5 5.05 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.86 128.93 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.093 0.473 . . . . 10.0 111.692 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -121.49 131.81 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.17 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.7 t80 -139.36 127.53 22.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.124 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.26 25.07 13.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.296 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.57 4.02 90.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.91 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.532 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 22.9 mtmt -109.57 139.83 44.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.709 0.29 . . . . 10.0 110.298 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -81.28 127.17 32.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' B' ' 45' ' ' PHE . 21.6 mt -83.28 112.74 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.893 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 45.0 mt-10 -74.95 141.25 44.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.035 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.23 -36.49 70.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.179 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.92 24.33 9.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.731 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -121.46 161.95 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.979 0.419 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -100.58 169.58 8.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.3 mt -70.41 -32.94 70.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.931 0.396 . . . . 10.0 110.64 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.22 -28.66 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.238 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.06 -44.31 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.233 0.54 . . . . 10.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.415 ' CD2' HD23 ' B' ' 50' ' ' LEU . 74.2 m-85 -89.18 8.77 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.203 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 63.79 30.77 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.571 0.545 . . . . 10.0 111.361 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.2 mt -78.34 107.77 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.772 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -105.14 -164.13 1.01 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.345 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 158.15 36.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 61.67 43.39 9.89 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -110.01 136.98 48.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.398 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -107.41 119.95 40.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.62 135.41 45.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.985 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -93.47 126.36 38.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -107.88 110.6 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 10.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.53 134.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.052 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.25 130.76 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 10.0 111.237 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 72' ' ' ARG . 27.2 ttt180 -116.35 132.27 56.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.092 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.8 mt -126.56 161.82 27.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -104.97 95.46 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 10.0 110.219 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.96 -158.75 20.15 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.547 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.655 -1.08 . . . . 10.0 111.601 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.699 -0.111 . . . . 10.0 110.699 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 60.65 26.76 16.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.22 0.533 . . . . 10.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -35.78 79.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -62.51 -45.27 93.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.31 -36.66 83.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.287 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.37 -47.2 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.397 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.978 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 13.7 mtm -70.54 -39.76 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.441 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.62 97.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -58.86 -34.8 72.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.786 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.84 -38.69 92.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 10.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.91 -35.64 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.179 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -63.71 -24.49 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.641 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.01 -13.08 60.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.963 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 44.3 mtm -102.8 -42.4 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.992 0.425 . . . . 10.0 110.273 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 468' ' ' PHE . . . . . 0.609 ' O ' HG13 ' C' ' 471' ' ' VAL . 15.5 m-85 -122.16 86.48 47.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.918 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.69 -9.72 22.84 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.754 2.303 . . . . 10.0 113.15 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -87.61 -5.66 58.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 471' ' ' VAL . . . . . 0.609 HG13 ' O ' ' C' ' 468' ' ' PHE . 6.1 p -94.21 135.02 24.86 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.96 126.9 20.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.292 1.995 . . . . 10.0 112.071 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -55.28 -37.73 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.208 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -66.5 -27.59 67.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.521 0.2 . . . . 10.0 111.076 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.75 -37.43 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 10.0 109.982 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.02 -45.82 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.603 . . . . 10.0 109.52 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -32.49 73.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.591 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.14 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.081 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 479' ' ' ASP . . . . . 0.421 ' OD2' HG23 ' C' ' 489' ' ' THR . 23.6 t70 -69.08 -36.28 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.084 -0.246 . . . . 10.0 111.293 -179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.15 -25.89 62.01 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.851 0.357 . . . . 10.0 111.285 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.93 -5.03 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.059 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.72 -61.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.7 p -67.79 -46.05 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.71 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 63.82 25.87 14.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.003 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.5 t -153.48 106.01 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.764 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 11.2 m -57.74 -25.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.918 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 -36.56 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.858 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.36 -30.9 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.152 0.501 . . . . 10.0 110.608 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 489' ' ' THR . . . . . 0.528 ' O ' HG13 ' C' ' 493' ' ' ILE . 58.7 m -61.34 -65.84 0.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.178 -178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -35.03 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.953 -178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 491' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 21.0 t70 -65.96 -51.43 58.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.5 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.14 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 493' ' ' ILE . . . . . 0.528 HG13 ' O ' ' C' ' 489' ' ' THR . 66.7 mt -67.25 -40.57 85.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.91 -35.62 59.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.544 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -54.22 33.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.923 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.07 68.22 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.363 -0.922 . . . . 10.0 112.333 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -132.86 -58.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.923 0.392 . . . . 10.0 110.232 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.92 137.25 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.509 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.62 141.3 57.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 111.512 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 31.4 m -91.37 162.83 30.9 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.146 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 68.08 2.73 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.714 2.276 . . . . 10.0 111.749 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -92.25 125.75 55.29 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.712 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.23 117.42 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.676 2.251 . . . . 10.0 111.473 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.346 -0.835 . . . . 10.0 110.244 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -102.17 139.6 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.969 0.414 . . . . 10.0 111.599 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -128.12 156.28 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.537 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -116.43 107.28 14.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.828 0.347 . . . . 10.0 110.947 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -94.24 117.44 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -100.73 141.7 33.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.0 0.429 . . . . 10.0 110.926 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -110.22 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.322 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.45 -9.01 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.385 . . . . 10.0 110.86 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -10.45 44.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.11 35.01 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.87 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -92.69 139.8 30.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 10.0 110.344 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.57 98.34 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -87.98 124.37 41.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.084 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.92 117.55 30.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.218 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.0 mt -119.81 149.53 41.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.189 0.519 . . . . 10.0 111.521 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.35 111.15 23.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.595 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.48 166.04 28.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.626 -0.261 . . . . 10.0 110.492 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -133.38 162.18 59.25 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.22 -31.76 30.23 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.832 2.354 . . . . 10.0 113.693 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -81.08 -5.07 57.21 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -70.66 154.18 42.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.032 0.444 . . . . 10.0 110.301 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -106.02 144.29 32.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.452 -178.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 48.8 mm -55.09 -38.22 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.235 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 10.0 110.359 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -64.19 -38.24 90.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.331 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' THR . 65.3 t -60.71 -43.25 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.001 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -65.22 -35.33 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.493 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.32 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.38 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.9 mttt -64.32 -40.77 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.121 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.59 -33.42 63.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.138 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 65.4 tt0 -65.52 -33.85 76.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.73 -27.62 40.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.993 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 74.9 mmtt -81.9 -56.39 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -97.95 -33.82 11.06 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 96.51 38.06 4.59 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.285 -0.96 . . . . 10.0 112.103 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.19 119.56 50.61 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.0 Cg_exo -55.43 144.97 70.58 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.905 2.403 . . . . 10.0 111.955 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -54.78 -26.73 49.01 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.875 2.384 . . . . 10.0 112.868 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -29.92 70.0 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.995 0.426 . . . . 10.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -99.54 10.8 40.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.416 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.0 105.61 15.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.116 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -115.31 103.61 10.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.06 116.63 22.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.427 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.403 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.5 mp -114.87 138.61 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.021 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -131.76 114.55 14.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.814 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.27 16.07 8.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.146 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 -1.5 34.86 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.562 -0.828 . . . . 10.0 113.527 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -122.81 150.23 43.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.098 0.449 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.81 147.93 26.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.847 0.356 . . . . 10.0 111.281 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.58 131.99 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.021 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.14 140.6 39.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 m-20 -61.71 -32.36 72.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.515 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 37.12 3.03 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -138.31 161.86 35.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 10.0 110.338 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -108.49 176.26 5.18 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.83 -24.45 63.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.243 0.544 . . . . 10.0 110.337 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -73.75 -26.8 60.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.009 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.43 -25.54 67.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.018 0.437 . . . . 10.0 111.096 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -111.27 9.81 21.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.756 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.5 43.23 28.88 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.298 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -78.84 113.94 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 -168.45 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.471 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -70.03 148.71 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.597 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 59.84 27.46 16.78 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -76.34 140.81 41.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.888 -0.325 . . . . 10.0 110.479 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -93.56 125.79 38.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.72 131.6 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.854 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -96.03 110.7 22.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.77 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.31 105.59 17.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 10.0 110.314 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 44' ' ' ILE . 46.5 t -85.42 119.55 34.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.4 153.5 29.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.108 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 10.0 111.726 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 14.9 ptt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.116 -0.328 . . . . 10.0 110.116 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.82 134.0 46.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.4 pt -121.22 159.98 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' B' ' 66' ' ' THR . 77.1 m-85 -118.34 109.84 16.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.846 0.355 . . . . 10.0 111.251 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -97.73 119.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -103.15 129.7 50.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.274 0.559 . . . . 10.0 110.569 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.01 166.76 13.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.542 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.72 -26.83 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -13.16 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.864 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.71 -10.4 52.82 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' CD ' ' B' ' 34' ' ' GLU . 38.4 tttp -63.84 140.59 58.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.292 -0.454 . . . . 10.0 110.092 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -122.33 126.85 48.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 10.0 110.793 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.6 131.35 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.649 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.76 125.38 40.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -120.2 145.7 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.25 0.548 . . . . 10.0 111.88 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.13 107.35 19.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.058 -0.973 . . . . 10.0 109.425 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.2 m -135.37 178.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.86 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HD12 ' B' ' 56' ' ' LEU . 8.8 mm-40 -145.68 158.55 49.66 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.25 -27.7 48.84 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.537 2.158 . . . . 10.0 113.305 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -3.72 53.98 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -84.08 152.8 24.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 10.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 42.0 p -97.3 156.36 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.942 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.69 -36.7 76.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.958 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.0 -41.71 97.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.514 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.064 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 58.8 t -63.22 -41.0 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.83 -40.27 96.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.004 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.39 75.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.523 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.31 -39.48 74.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.036 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.76 -37.37 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.75 -34.94 79.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.28 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.72 -28.75 66.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.128 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -92.68 -64.81 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' CD ' ' HE2' ' B' ' 11' ' ' LYS . 72.7 mm-40 -81.73 -25.66 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 36.29 22.45 Favored Glycine 0 C--N 1.321 -0.304 0 C-N-CA 120.381 -0.914 . . . . 10.0 112.694 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -102.42 126.15 34.02 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.52 136.81 64.94 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.516 2.144 . . . . 10.0 112.001 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.45 -23.27 74.92 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.965 2.443 . . . . 10.0 112.454 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.82 66.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.406 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -92.98 -0.11 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -92.46 99.28 12.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -104.58 97.79 7.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -88.02 128.31 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.042 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -127.74 129.79 70.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.785 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -113.83 99.24 7.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.726 0.298 . . . . 10.0 110.975 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.49 25.64 14.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 112.329 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.27 -14.19 30.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.668 -0.777 . . . . 10.0 112.588 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -89.95 120.21 30.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.609 -0.348 . . . . 10.0 110.522 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -78.78 119.08 21.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 123.71 27.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.478 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.9 144.93 28.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.96 -48.67 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.797 0.332 . . . . 10.0 111.686 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.17 54.92 4.93 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.516 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.467 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.9 mmt180 -139.16 151.5 46.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.449 -0.204 . . . . 10.0 110.449 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.97 150.25 20.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.973 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.9 mt -61.09 -28.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 10.0 111.655 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -70.23 -21.05 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.103 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.26 -18.31 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.692 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.96 -0.45 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.674 0.273 . . . . 10.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 55.32 49.55 16.81 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.436 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.2 mt -85.63 130.19 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -166.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.381 0.61 . . . . 10.0 111.497 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -83.03 147.45 28.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.9 18.23 11.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.985 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 m -80.72 138.91 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.095 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -93.72 130.22 39.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 10.0 111.426 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -114.8 148.85 37.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.527 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -100.78 129.26 46.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.742 0.306 . . . . 10.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.8 tp -112.52 107.38 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.372 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 t -100.48 135.29 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.074 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.794 -179.78 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.007 0.432 . . . . 10.0 110.248 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.326 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.77 99.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.351 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 63.8 mtm -64.96 -42.32 94.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.488 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.38 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.802 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -58.62 -38.43 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.652 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.2 tp60 -70.58 -42.68 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.264 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.61 -35.47 67.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.14 -25.05 67.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.851 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -24.21 31.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 110.343 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.4 mmm -81.73 -34.84 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.838 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.429 ' O ' HG12 ' C' ' 471' ' ' VAL . 7.5 m-85 -123.9 86.78 53.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.607 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -77.63 41.06 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.684 2.256 . . . . 10.0 112.369 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -150.04 6.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.255 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.429 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.2 p -107.86 138.85 20.17 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 121.33 -0.148 . . . . 10.0 110.662 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.405 ' O ' HG23 ' C' ' 476' ' ' VAL . 26.4 Cg_exo -65.02 124.98 13.84 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.168 1.912 . . . . 10.0 111.552 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -58.71 -37.35 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.093 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -64.43 -24.16 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 10.0 111.336 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 475' ' ' LEU . 32.9 mt -84.16 -36.37 22.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 10.0 110.235 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.405 HG23 ' O ' ' C' ' 472' ' ' PRO . 15.6 t -63.78 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.331 0.586 . . . . 10.0 109.548 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -24.97 67.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.409 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -76.33 -47.89 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.26 -34.23 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.163 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -23.32 48.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.608 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.61 -11.05 43.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.871 0.367 . . . . 10.0 110.911 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 -35.16 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.246 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.5 p -98.84 -45.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.98 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.64 30.45 8.28 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.653 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.2 t -160.75 127.06 4.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.567 0.222 . . . . 10.0 110.654 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.88 -26.02 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.929 0.395 . . . . 10.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 39.1 mp0 -68.19 -24.0 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.931 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.28 -47.88 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.829 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.542 ' O ' HG13 ' C' ' 493' ' ' ILE . 25.9 m -52.78 -64.43 0.82 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -41.63 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 10.0 112.117 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 23.0 t70 -66.51 -48.18 70.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.077 0.465 . . . . 10.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -21.82 66.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.924 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.542 HG13 ' O ' ' C' ' 489' ' ' THR . 51.5 mt -63.3 -39.59 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -31.02 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.571 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -88.98 135.62 33.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.049 0.452 . . . . 10.0 111.863 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -123.03 161.83 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.255 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -117.71 104.07 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 10.0 111.586 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -92.16 123.49 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -107.74 132.18 53.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.027 0.441 . . . . 10.0 110.979 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 71.3 p -99.29 165.9 11.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.508 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.72 -12.88 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.117 0.484 . . . . 10.0 110.762 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.95 -3.01 57.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.89 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.91 35.71 20.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 10.0 112.154 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.3 144.67 44.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.79 120.78 40.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.122 0.486 . . . . 10.0 110.414 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.45 118.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.194 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.17 24.05 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.08 144.33 44.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 10.0 111.815 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.87 100.81 12.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.465 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 1' ' ' MET . 20.5 m -125.53 174.5 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.54 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 54.6 mm-40 -129.05 157.92 74.39 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.31 -26.74 53.91 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.658 2.239 . . . . 10.0 112.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 9.46 28.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.79 141.52 31.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.078 0.466 . . . . 10.0 110.477 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.68 144.32 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.305 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.0 mm -56.31 -40.36 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.057 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -57.95 -42.3 84.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.52 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.01 -39.16 90.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.241 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -60.78 -43.11 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.692 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -65.4 -35.43 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.436 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.36 86.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.801 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -64.71 -37.87 89.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.995 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.58 -38.12 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 121.356 0.598 . . . . 10.0 109.65 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.34 -36.08 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.89 -30.93 68.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.005 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -96.46 -44.59 7.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -89.64 -34.65 16.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.08 11.95 53.38 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.594 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -92.91 119.86 67.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -53.95 137.83 69.2 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.788 2.325 . . . . 10.0 112.315 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.15 -18.98 67.65 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.905 2.403 . . . . 10.0 111.961 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.02 -25.47 62.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.087 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -102.75 8.01 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.18 116.88 33.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.403 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -118.09 99.15 6.69 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.147 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.11 140.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.868 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -132.67 112.33 11.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.782 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 10.99 7.58 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.966 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.35 -15.32 17.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.391 -0.909 . . . . 10.0 113.035 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -103.39 149.15 25.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.959 0.379 . . . . 10.0 110.315 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.45 144.96 27.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.014 0.435 . . . . 10.0 110.766 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.82 137.19 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -82.31 145.51 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.103 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.8 -38.48 91.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 10.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.25 41.85 3.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.092 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.7 mmt-85 -136.71 165.44 25.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -109.77 169.0 8.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.677 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 45.1 mt -64.24 -34.59 78.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.633 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.7 m -67.9 -19.07 64.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.278 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.88 -24.86 61.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 10.0 111.131 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -114.3 12.95 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.81 32.79 22.56 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.34 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.1 mt -79.11 109.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -99.24 -166.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.017 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -70.98 151.77 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.938 0.399 . . . . 10.0 111.854 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 64.13 11.17 6.02 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.136 -0.938 . . . . 10.0 113.086 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -74.45 145.97 43.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 10.0 110.565 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -92.68 125.42 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.62 128.02 54.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.48 118.26 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.679 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 44.2 tp -99.66 107.92 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.019 0.438 . . . . 10.0 111.052 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.94 136.43 24.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.43 162.82 13.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.378 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.736 0.303 . . . . 10.0 110.504 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.194 -0.298 . . . . 10.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -115.45 132.92 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.384 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -121.46 151.57 24.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.022 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' B' ' 66' ' ' THR . 47.9 m-85 -108.57 116.66 32.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.706 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -105.93 119.46 55.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -106.09 124.88 50.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.918 0.389 . . . . 10.0 110.978 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.448 HG22 HD23 ' B' ' 69' ' ' LEU . 64.7 p -82.89 169.59 15.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.46 -27.49 69.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 10.0 109.81 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -20.55 61.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.073 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.64 18.6 20.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.877 -0.678 . . . . 10.0 112.5 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -88.25 122.19 31.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.709 0.29 . . . . 10.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.63 105.19 17.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.06 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.19 125.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.049 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -90.5 137.6 32.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.501 HD11 HG12 ' B' ' 30' ' ' ILE . 42.4 mt -130.69 134.2 46.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.807 0.337 . . . . 10.0 111.412 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -87.92 108.95 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.73 163.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.129 0.49 . . . . 10.0 111.407 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.51 ' O ' HD12 ' B' ' 56' ' ' LEU . 72.3 mm-40 -120.39 158.46 51.06 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.09 -34.56 78.56 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.242 1.961 . . . . 10.0 112.598 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.31 1.79 20.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -77.19 146.32 37.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.9 p -94.19 150.57 20.19 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.763 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.509 HD12 HD13 ' B' ' 50' ' ' LEU . 45.2 mm -56.75 -37.2 52.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.151 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.75 -42.01 98.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.598 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.58 -35.65 77.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.417 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.5 t -60.53 -45.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.62 -32.42 73.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.483 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.49 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.25 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.0 -35.85 79.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.153 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.501 HG12 HD11 ' B' ' 15' ' ' LEU . 19.7 mt -73.35 -32.52 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 31.1 tt0 -63.64 -28.92 70.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.252 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.01 -30.78 39.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.174 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -87.02 -50.09 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.96 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.09 -25.92 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 82.87 26.71 44.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.591 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.43 124.65 37.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.566 0.183 . . . . 10.0 110.794 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.4 Cg_exo -54.46 137.74 72.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.794 2.33 . . . . 10.0 112.411 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.7 Cg_exo -57.02 -21.98 44.62 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.038 2.492 . . . . 10.0 113.396 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.1 -27.51 61.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.401 0.619 . . . . 10.0 110.57 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -98.96 13.04 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.885 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -112.96 124.31 52.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.736 0.303 . . . . 10.0 111.732 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -122.71 110.94 16.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.891 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -98.59 132.96 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.097 0.475 . . . . 10.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.97 131.65 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.006 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -115.92 106.53 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 10.0 111.041 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 24.66 12.27 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.588 -0.733 . . . . 10.0 112.383 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.98 -15.83 43.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.115 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -93.85 114.33 26.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.25 135.37 50.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD13 HD12 ' B' ' 23' ' ' ILE . 24.6 mt -85.73 131.55 34.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.864 0.364 . . . . 10.0 111.227 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.57 141.08 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.856 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.43 -48.33 68.85 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.424 0.453 . . . . 10.0 111.82 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.6 51.84 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.978 -0.63 . . . . 10.0 113.072 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 54' ' ' ARG . 39.1 mmt-85 -143.53 166.02 25.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.4 p -106.58 177.7 4.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.614 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.6 mt -76.14 -36.09 58.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.673 0.273 . . . . 10.0 110.621 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -21.7 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.015 0.436 . . . . 10.0 110.332 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -57.79 -31.87 66.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.201 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -111.11 11.72 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.809 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 58.2 47.34 14.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.925 . . . . 10.0 111.899 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -84.99 130.46 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -120.06 -167.62 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 10.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -75.75 154.37 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.301 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.85 21.63 11.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.42 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 m -90.17 157.16 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.872 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.0 m -124.28 139.64 53.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -126.69 156.98 40.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.336 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -102.87 133.15 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.063 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.448 HD23 HG22 ' B' ' 7' ' ' THR . 54.0 tp -114.09 113.0 24.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.383 . . . . 10.0 110.701 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.7 t -95.18 128.17 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.133 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.357 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.0 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.592 0.234 . . . . 10.0 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.99 -39.3 87.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 10.0 110.561 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.69 95.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.567 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.28 -35.53 81.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.394 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.81 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.957 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.07 -38.99 84.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.066 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.3 tp60 -64.64 -45.03 88.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.107 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 89.7 mt -66.09 -35.66 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.288 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.47 -26.22 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -79.97 -27.49 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.228 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 28.4 mmm -84.89 -32.26 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.366 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.412 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.4 m-85 -119.93 79.38 24.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.656 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.97 44.31 1.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.5 2.133 . . . . 10.0 112.26 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.0 21.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.412 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.2 p -131.25 137.9 31.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.351 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 37.8 Cg_exo -61.81 128.8 25.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.504 2.136 . . . . 10.0 112.086 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -53.6 -44.91 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.433 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -63.49 -25.77 68.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 475' ' ' LEU . 15.7 mt -77.82 -32.74 52.45 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.844 -0.343 . . . . 10.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.5 t -67.53 -40.6 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 10.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.39 -30.75 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.69 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.0 -48.8 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.53 -39.95 94.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.358 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.67 -35.01 71.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 111.073 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -85.25 4.61 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.94 -51.11 2.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.021 0.438 . . . . 10.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 66.9 p -89.34 -41.43 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.534 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? 68.11 27.97 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.471 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.7 t -149.07 121.63 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.14 -26.67 41.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.137 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.76 -29.93 67.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 23.1 mt -88.17 -39.83 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.432 ' O ' HG13 ' C' ' 493' ' ' ILE . 39.5 m -54.7 -51.71 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 10.0 111.729 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 4.6 p -63.85 -39.45 94.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.12 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 27.5 t0 -62.91 -48.64 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.732 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -55.19 -47.91 74.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.432 HG13 ' O ' ' C' ' 489' ' ' THR . 74.6 mt -61.83 -43.76 97.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.866 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -37.46 85.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.587 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 32.0 mm-40 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.453 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.604 0.24 . . . . 10.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -99.92 144.59 28.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.916 0.389 . . . . 10.0 111.319 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.1 pt -131.03 167.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.04 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 66.0 m-85 -125.11 121.89 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.701 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.84 116.79 53.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.743 0.306 . . . . 10.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -87.58 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 10.0 110.438 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.487 HG23 HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -106.76 160.26 15.61 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.565 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.4 -16.6 48.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.103 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -78.35 -7.19 56.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.813 0.34 . . . . 10.0 111.451 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 20.64 54.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.643 -0.789 . . . . 10.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -114.94 147.53 39.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -109.28 114.77 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.091 0.472 . . . . 10.0 110.321 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -90.43 117.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 127.73 35.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.855 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.41 155.13 50.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 10.0 111.214 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -104.06 120.23 40.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.22 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 m -135.5 167.32 25.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.828 0.347 . . . . 10.0 111.087 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.2 mm-40 -120.09 158.68 49.8 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.533 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -36.83 97.57 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 122.251 1.968 . . . . 10.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -86.31 5.58 33.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.793 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.6 t0 -68.16 149.62 49.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 10.0 110.54 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 m -100.14 142.31 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.591 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -52.05 -44.54 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.293 0.371 . . . . 10.0 111.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.44 -44.48 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 10.0 110.557 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.35 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.074 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 94.1 t -62.24 -42.58 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.893 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' OD2' ' A' ' 52' ' ' ASP . 28.2 mtmt -66.07 -34.05 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.273 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.71 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.945 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -66.37 -33.42 75.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.838 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -74.12 -30.11 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 37.5 tt0 -70.18 -32.34 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.239 -0.892 . . . . 10.0 110.095 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.37 -32.78 58.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -87.83 -55.69 3.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -87.19 -41.6 13.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.664 0.268 . . . . 10.0 111.657 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 102.57 1.12 49.94 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.059 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -68.11 126.72 92.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.16 134.88 55.05 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.411 2.074 . . . . 10.0 111.946 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.85 -18.29 26.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.739 2.293 . . . . 10.0 112.763 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -28.09 63.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.109 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.88 15.39 24.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.629 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -101.78 111.82 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.412 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -111.43 109.88 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 mt -93.96 114.55 26.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.005 0.431 . . . . 10.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.48 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.34 135.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.994 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.1 t80 -129.41 114.78 16.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.26 30.97 17.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.571 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.44 26.57 35.56 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.714 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 34.4 mtmt -138.99 136.77 35.71 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.552 -0.381 . . . . 10.0 110.659 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.24 125.1 29.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.9 mt -84.69 147.02 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.86 145.84 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.815 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -60.87 -44.64 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.899 -178.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.38 53.22 4.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.978 -0.629 . . . . 10.0 113.434 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -141.98 160.95 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 62.2 p -104.28 172.35 6.85 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.2 mt -66.78 -29.16 69.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.329 0.585 . . . . 10.0 110.049 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -15.96 62.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.334 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -71.99 -26.14 62.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 10.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -118.62 16.69 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.423 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 58.81 34.98 24.06 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.597 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.55 120.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.957 0.408 . . . . 10.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -108.61 -162.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -76.6 152.01 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.28 18.99 11.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.113 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 m -77.58 136.14 38.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.586 0.232 . . . . 10.0 110.513 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.5 m -93.38 113.1 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.976 0.417 . . . . 10.0 111.234 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 146.28 26.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' C' ' 467' ' ' MET . 16.3 m80 -104.01 123.93 48.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.681 0.277 . . . . 10.0 110.481 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 HG23 ' A' ' 7' ' ' THR . 39.7 tp -98.35 104.39 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.14 0.495 . . . . 10.0 110.403 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.48 131.72 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.87 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.68 157.33 18.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.492 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.801 0.334 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -98.1 136.59 38.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -125.08 162.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.9 m-85 -119.16 113.35 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.002 0.43 . . . . 10.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.26 119.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -103.02 129.28 49.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.126 0.489 . . . . 10.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -91.18 170.86 9.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.665 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.53 -19.22 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.323 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.31 -8.21 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.888 0.375 . . . . 10.0 110.853 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.36 -7.39 63.93 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.021 -0.609 . . . . 10.0 112.686 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -72.95 119.95 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 10.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.31 111.43 23.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.119 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.59 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.045 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -100.0 137.96 37.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.966 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -132.78 148.6 52.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.005 0.431 . . . . 10.0 111.298 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -93.84 112.79 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.402 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' B' ' 1' ' ' MET . 23.2 m -138.52 179.75 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.925 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -139.63 158.46 68.12 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.84 -28.66 68.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.103 1.869 . . . . 10.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 9.51 28.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.777 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -79.2 157.13 27.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.847 0.356 . . . . 10.0 110.24 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 146.24 27.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.498 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.4 -41.22 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 10.0 110.401 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.91 -42.24 89.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.81 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.0 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 3.2 mmmm -60.93 -40.67 94.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.992 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.88 76.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.661 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.37 -37.77 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.327 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.18 -35.44 63.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.588 0.708 . . . . 10.0 109.306 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 32.7 tt0 -70.26 -21.69 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.044 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.32 -39.61 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.906 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -77.49 -60.12 2.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.489 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.93 -51.71 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 10.0 111.179 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 115.54 -4.82 21.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 10.0 112.162 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.45 127.16 86.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.511 -0.181 . . . . 10.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.89 133.92 61.15 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.319 2.013 . . . . 10.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.49 -23.35 74.97 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.599 2.2 . . . . 10.0 111.643 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 -25.75 67.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.215 -0.902 . . . . 10.0 111.066 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -111.13 12.69 21.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.797 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.45 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 65.5 mt-30 -96.83 106.36 18.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.115 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -110.79 99.47 8.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.63 125.52 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.103 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -122.25 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.666 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 72.9 t80 -123.1 115.42 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.291 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.77 20.02 10.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.701 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.55 -10.92 56.44 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -97.26 130.4 44.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.604 0.24 . . . . 10.0 110.62 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -76.83 137.22 39.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -93.59 122.84 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.886 0.374 . . . . 10.0 111.569 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.708 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.84 -37.19 65.86 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.069 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.04 35.14 2.76 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.281 -0.485 . . . . 10.0 112.892 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -135.35 163.38 30.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -104.99 168.69 8.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.541 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -66.2 -30.72 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.531 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -73.23 -21.55 60.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.19 -34.62 78.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 10.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.09 9.55 32.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.492 . . . . 10.0 111.075 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.79 40.0 10.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.502 0.501 . . . . 10.0 111.037 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -85.36 102.81 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.502 ' HB2' ' NH2' ' C' ' 484' ' ' ARG . 73.1 mt-30 -93.02 176.33 6.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 8.7 pttt -71.05 164.16 26.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 67.35 2.49 2.88 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.302 0.641 . . . . 10.0 112.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -84.47 148.9 26.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.3 m -99.36 133.42 43.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.422 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.34 143.04 45.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.747 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.15 131.45 45.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.773 0.321 . . . . 10.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.16 106.3 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.274 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.13 132.77 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.497 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.239 179.431 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.996 0.426 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.94 -39.67 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.232 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.35 -40.38 89.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.52 -26.07 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.533 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -77.74 -40.99 39.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.03 -34.05 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.275 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.6 -25.61 68.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.64 -27.96 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 10.0 110.246 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.489 ' HA ' ' CG ' ' A' ' 68' ' ' HIS . 45.0 mtm -82.1 -48.83 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.267 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 16.5 m-85 -115.48 91.63 29.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.715 0.293 . . . . 10.0 110.683 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.61 40.18 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.792 2.328 . . . . 10.0 113.196 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.36 14.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.789 0.328 . . . . 10.0 111.465 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.1 p -116.85 130.89 24.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 120.994 -0.283 . . . . 10.0 110.814 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 129.41 34.69 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.671 2.247 . . . . 10.0 111.909 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.48 -42.96 79.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.215 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -62.71 -26.76 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.595 0.22 . . . . 10.0 111.595 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' C' ' 475' ' ' LEU . 16.6 mt -76.16 -39.14 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 10.0 110.005 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.43 -45.8 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.919 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 7.5 mt -63.78 -27.49 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.893 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -68.33 -51.88 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.103 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.11 -33.97 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.718 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -30.19 64.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.363 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 45.6 mt-30 -83.34 -12.06 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.019 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.87 -48.76 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.739 -0.209 . . . . 10.0 111.498 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 16.5 p -83.56 -36.01 24.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.502 ' NH2' ' HB2' ' B' ' 62' ' ' GLN . 5.1 mpt_? 62.94 27.79 16.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.104 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -161.12 124.39 3.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.689 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.56 -28.98 45.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.746 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.635 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 9.7 mt -92.73 -40.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.894 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 37.9 m -53.54 -56.02 20.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.026 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -31.65 72.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.442 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -67.27 -40.44 86.19 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -58.43 -43.57 88.77 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.228 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.88 -46.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.432 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -30.76 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.462 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 10.0 110.479 179.129 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.4 ptt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -105.0 133.49 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.448 . . . . 10.0 111.554 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.67 158.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.705 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -120.57 130.65 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.773 0.32 . . . . 10.0 110.773 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.41 133.48 59.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -104.79 140.52 37.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 21.8 p -114.19 161.7 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.086 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -72.09 -4.47 29.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.392 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.38 39.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.953 0.406 . . . . 10.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.07 43.52 16.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.401 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -128.47 123.54 33.89 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -87.09 128.85 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.521 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.0 mt -113.84 127.27 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -96.39 127.72 42.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.935 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.94 140.14 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 10.0 111.624 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -102.8 107.49 18.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.004 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 1' ' ' MET . 26.6 m -139.08 168.07 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.61 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -113.24 156.13 43.49 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.95 -26.02 56.28 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.816 2.344 . . . . 10.0 113.139 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 13.76 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.908 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -86.68 149.23 25.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.23 144.88 27.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.674 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 HG23 HD12 ' A' ' 43' ' ' LEU . 46.8 mm -55.85 -43.89 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.203 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -34.27 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 10.0 110.681 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -70.88 -22.6 62.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.095 0.474 . . . . 10.0 110.466 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' THR . 94.0 t -77.03 -42.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.059 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.71 82.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.084 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.45 -34.38 75.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.68 -34.76 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.87 -36.09 82.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.964 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.42 -34.49 74.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -85.87 -50.92 6.74 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -93.29 -25.48 17.74 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.2 22.63 51.34 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.312 -0.946 . . . . 10.0 112.233 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -98.7 127.83 34.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.325 -0.25 . . . . 10.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.52 128.1 27.08 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.521 2.147 . . . . 10.0 112.153 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.97 -18.88 29.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.298 2.665 . . . . 10.0 112.814 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.524 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.38 15.66 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 10.0 110.801 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.64 121.94 44.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.044 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -116.51 131.11 57.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 HG23 ' A' ' 23' ' ' ILE . 22.0 mt -106.66 116.11 31.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.147 0.499 . . . . 10.0 110.318 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.69 133.96 55.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -125.76 109.46 12.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.16 24.69 14.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.428 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.75 -7.27 60.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.819 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -100.02 131.29 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.735 -0.274 . . . . 10.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 130.46 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.64 144.32 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.744 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.7 mt-10 -87.75 143.9 26.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -63.75 -36.0 82.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 31.57 4.12 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.824 -0.703 . . . . 10.0 113.658 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 28.8 mmt180 -123.83 166.79 15.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.95 0.375 . . . . 10.0 110.218 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 24.1 p -107.27 172.53 6.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.783 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.32 -31.31 71.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.171 0.51 . . . . 10.0 110.127 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -21.09 65.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.166 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -63.45 -37.18 86.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -111.08 13.96 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.558 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.55 39.54 24.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.624 -0.717 . . . . 10.0 111.834 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -81.96 112.05 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -103.83 -166.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -71.61 161.33 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.385 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 64.02 15.9 9.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.792 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -89.79 147.33 23.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.84 0.352 . . . . 10.0 110.775 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -107.54 126.9 53.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.814 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.63 141.62 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -99.17 117.13 32.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.639 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 41.6 tp -94.05 100.81 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 10.0 110.192 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -94.47 132.66 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.9 mt -101.56 147.73 26.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.849 0.357 . . . . 10.0 110.365 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -111.47 136.09 51.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.791 0.329 . . . . 10.0 111.298 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.17 165.45 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.593 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 66' ' ' THR . 55.2 m-85 -124.15 119.67 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.713 0.292 . . . . 10.0 110.955 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.27 121.36 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -106.2 125.91 51.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.994 0.426 . . . . 10.0 110.947 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -80.87 168.6 18.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.061 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.01 -20.49 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 10.0 110.815 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -19.56 43.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.329 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.29 8.56 30.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.494 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -80.39 122.59 27.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -99.06 114.99 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 10.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.12 128.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.788 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -93.77 123.51 37.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.7 mt -125.62 151.4 46.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 10.0 111.625 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.4 114.64 28.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.347 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -144.93 146.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.194 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -100.47 156.63 35.0 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -53.38 -29.32 47.7 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 122.697 2.265 . . . . 10.0 113.219 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -85.84 9.11 17.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.891 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -86.86 134.06 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.855 0.36 . . . . 10.0 110.357 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.28 148.43 32.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -56.52 -38.14 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.01 -41.32 78.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.799 0.333 . . . . 10.0 110.652 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.23 -36.71 82.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 10.0 110.141 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.4 t -64.31 -40.26 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.786 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -40.48 92.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.102 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.73 89.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.6 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.42 -39.07 93.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.329 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.3 mt -70.96 -40.49 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.167 0.508 . . . . 10.0 110.015 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.73 -38.91 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.156 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -0.81 16.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 10.0 112.01 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -123.28 -49.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.956 -0.298 . . . . 10.0 111.766 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.57 -10.65 45.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.2 74.35 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.107 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 123.94 37.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.335 -0.246 . . . . 10.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 35.1 Cg_exo -57.98 138.75 87.57 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.472 2.114 . . . . 10.0 111.838 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -57.81 -21.24 47.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.087 2.525 . . . . 10.0 112.903 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -27.43 68.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.497 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.89 17.25 20.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.918 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -99.75 91.49 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.138 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 71.3 mtt180 -92.26 93.02 8.44 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.2 mt -85.23 114.72 22.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.492 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -120.58 129.18 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.317 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.439 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.8 t80 -120.82 116.76 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.346 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.25 24.54 13.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.729 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.81 70.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.727 -0.749 . . . . 10.0 112.844 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -97.73 118.73 34.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.26 125.11 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.5 mt -86.21 120.25 27.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.269 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.88 148.99 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.293 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.17 44.24 3.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.808 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.403 ' O ' HG12 ' B' ' 23' ' ' ILE . 17.9 mmt180 -142.06 153.88 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.0 p -101.55 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.253 -0.276 . . . . 10.0 110.253 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 58.5 mt -72.49 -33.46 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.129 0.49 . . . . 10.0 110.261 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -23.6 64.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.948 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.34 -33.61 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.427 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -108.22 9.83 27.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.291 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 62.18 37.32 14.42 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.716 0.635 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 123.52 31.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.34 -167.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 10.0 111.459 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -73.55 147.28 44.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.283 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 68.08 17.08 9.49 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.702 -0.681 . . . . 10.0 112.066 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -68.86 131.11 44.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 10.0 110.212 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -98.29 123.87 42.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.33 138.49 40.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.431 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -95.0 127.61 41.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.0 107.61 18.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 10.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 11.3 t -103.74 143.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.157 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.362 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.947 0.403 . . . . 10.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -63.25 -42.65 99.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.429 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 52.2 mtm -64.24 -40.39 95.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.9 96.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.85 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.53 -41.29 89.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.382 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.8 tp60 -64.04 -38.93 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.07 -36.65 76.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.508 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -61.7 -27.73 68.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 10.0 109.986 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.59 -26.55 45.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.532 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 53.8 mmm -86.9 -37.91 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.028 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.78 86.17 23.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 469' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' C' ' 467' ' ' MET . 5.7 Cg_exo -78.22 49.51 3.04 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.047 2.498 . . . . 10.0 112.593 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -165.11 35.87 0.06 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.058 0.456 . . . . 10.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.1 p -141.09 134.11 14.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.3 Cg_exo -60.12 124.35 15.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 10.0 112.002 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -55.66 -39.15 70.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.628 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -62.81 -30.27 71.35 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.975 -0.29 . . . . 10.0 111.401 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 47.5 mt -75.41 -34.14 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.12 -40.86 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 93.6 mt -63.83 -31.53 72.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.304 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -65.1 -49.87 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 10.0 111.046 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.71 -38.1 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -31.72 67.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.599 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 72.7 mt-30 -78.41 -7.17 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.763 0.316 . . . . 10.0 111.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.0 mm? -112.68 -50.12 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.768 0.318 . . . . 10.0 111.296 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.0 p -83.26 -45.05 14.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.891 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 67.05 26.5 8.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.635 0.584 . . . . 10.0 111.19 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.4 t -149.62 128.85 12.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.051 0.453 . . . . 10.0 111.013 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.67 -25.82 38.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.832 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.32 -6.15 48.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.092 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 31.3 mt -113.47 -38.93 2.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -62.74 -56.48 17.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -31.3 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.082 0.468 . . . . 10.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.5 -53.59 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.37 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -49.77 -41.12 43.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.961 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.82 -44.18 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.619 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -29.55 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 10.0 110.573 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.099 179.609 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -103.48 133.09 49.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.248 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -121.81 160.88 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.919 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.0 m-85 -113.05 126.22 55.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.804 0.335 . . . . 10.0 110.749 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.61 118.93 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.829 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -97.21 127.13 42.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.089 0.471 . . . . 10.0 110.521 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.56 156.7 17.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.382 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -65.39 -6.83 11.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.14 10.99 37.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.029 0.442 . . . . 10.0 111.081 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 19.18 78.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 10.0 111.693 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.86 143.37 26.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.578 -0.311 . . . . 10.0 110.687 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -127.9 104.25 7.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.179 0.514 . . . . 10.0 110.234 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.3 135.02 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.159 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -110.22 118.1 35.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.62 152.36 39.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 111.806 -178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -92.17 118.36 30.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.337 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.09 -176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.836 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.1 mm-40 -146.74 157.29 47.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 51.7 Cg_exo -53.48 -33.19 66.46 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.342 2.028 . . . . 10.0 112.531 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.82 53.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.013 -0.54 . . . . 10.0 112.202 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.09 136.19 35.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.379 . . . . 10.0 110.574 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.54 149.27 31.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.805 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 54' ' ' ARG . 51.3 mm -56.77 -33.76 41.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.19 0.519 . . . . 10.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.99 -44.28 94.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.392 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.36 -37.21 86.4 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.412 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 30' ' ' ILE . 61.1 t -59.97 -46.42 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.323 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -63.76 -34.34 77.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.26 93.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -35.67 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.099 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 26' ' ' VAL . 70.8 mt -66.6 -36.29 76.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.35 -31.72 69.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.233 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.63 -42.27 95.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -78.97 -66.01 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.387 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -70.2 -61.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.31 1.3 14.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.045 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.64 122.84 86.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.1 Cg_exo -59.5 148.94 84.89 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 111.897 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.45 -20.17 39.37 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.765 2.31 . . . . 10.0 112.623 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.42 -18.56 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.149 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -117.79 13.29 14.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.419 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -107.3 96.93 6.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.674 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.8 103.74 13.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.422 -0.955 . . . . 10.0 108.422 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 44' ' ' ILE . 24.8 mt -83.79 136.0 34.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.121 0.486 . . . . 10.0 111.665 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.5 mp -131.25 141.59 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 10.0 109.794 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -139.48 123.52 17.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.27 22.32 12.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.698 0.623 . . . . 10.0 112.093 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.05 17.15 44.69 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.657 -0.783 . . . . 10.0 113.692 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -138.83 153.61 48.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.211 0.506 . . . . 10.0 110.647 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.6 OUTLIER -81.92 153.22 26.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.136 0.494 . . . . 10.0 111.781 -179.27 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -107.7 147.67 30.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.042 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.2 mt-10 -94.93 143.91 26.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.69 0.281 . . . . 10.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -38.15 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.519 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.59 16.06 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.965 -0.636 . . . . 10.0 113.979 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 37.0 mmt180 -115.07 161.68 18.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.993 0.397 . . . . 10.0 110.043 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 p -106.71 166.4 10.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.505 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 85.0 mt -66.45 -28.62 68.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.941 0.4 . . . . 10.0 110.617 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -21.11 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.177 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -62.9 -49.69 73.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 10.0 110.999 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -90.53 13.26 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.384 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 59.08 40.49 21.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.695 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.19 115.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.096 0.474 . . . . 10.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -102.79 -162.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.982 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 36.1 pttt -79.09 160.37 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 38.2 mt-10 73.2 -7.83 1.44 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.175 0.59 . . . . 10.0 111.752 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -64.46 138.77 58.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 10.0 111.11 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.1 m -105.2 117.34 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.497 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.59 149.39 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.622 . . . . 10.0 110.259 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.498 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 33.5 m80 -103.26 136.2 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.335 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 tp -115.29 109.45 17.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' C' ' 490' ' ' THR . 50.9 t -90.81 129.24 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.792 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.45 137.36 32.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.888 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' C' ' 491' ' ' ASP . 3.6 ttm180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 10.0 110.619 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -106.95 126.32 52.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.782 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.8 pt -114.37 160.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.968 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.02 118.87 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 111.139 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.08 127.18 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.751 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.11 127.29 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.057 0.456 . . . . 10.0 110.683 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -94.13 164.47 13.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.504 HD11 HG13 ' B' ' 70' ' ' VAL . 95.6 mt -62.47 -23.42 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.4 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -22.03 57.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 10.0 110.936 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 29.92 6.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.659 -0.781 . . . . 10.0 112.54 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.44 132.4 50.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.55 107.08 19.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.833 0.349 . . . . 10.0 110.479 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -98.75 124.99 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.689 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -96.08 127.77 42.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.444 HD11 HG12 ' B' ' 30' ' ' ILE . 76.4 mt -126.48 135.31 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.736 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.72 106.37 18.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.58 175.39 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.843 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -124.62 152.81 69.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.969 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.67 -25.55 68.47 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.473 2.116 . . . . 10.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -85.29 -1.76 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.932 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.13 155.69 30.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.713 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -94.24 148.45 22.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.915 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.19 -38.31 60.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.01 0.433 . . . . 10.0 110.382 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.32 -42.77 82.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.703 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -71.81 -31.33 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.198 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 22' ' ' THR . 84.6 t -61.25 -50.99 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.318 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -70.08 -24.27 63.2 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.742 0.306 . . . . 10.0 110.761 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.44 83.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 10.0 109.716 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.94 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.444 HG12 HD11 ' B' ' 15' ' ' LEU . 61.9 mt -71.47 -34.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.36 -39.62 92.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.854 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -83.43 -60.34 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.16 -20.33 30.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.93 24.05 56.18 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.435 -0.888 . . . . 10.0 112.779 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -100.31 123.36 46.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 122.845 -0.209 . . . . 10.0 110.549 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.9 Cg_exo -56.85 131.24 44.32 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.456 2.104 . . . . 10.0 111.639 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -58.9 -21.4 57.45 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.593 2.195 . . . . 10.0 112.589 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -17.44 61.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.223 0.535 . . . . 10.0 110.397 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.6 12.83 21.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.886 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -104.98 118.77 37.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.07 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.416 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 7.2 ttt180 -112.09 99.64 8.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -93.3 124.54 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.449 . . . . 10.0 110.952 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.42 134.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.6 t80 -132.53 121.28 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.266 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.65 21.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.921 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.28 90.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.465 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -106.62 130.46 54.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -77.43 135.8 38.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.1 mt -90.68 124.21 34.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.973 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -88.84 136.19 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.256 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.97 -39.89 66.38 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.94 16.55 11.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.978 -0.63 . . . . 10.0 114.445 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -121.26 165.26 15.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.808 0.804 . . . . 10.0 110.341 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 71.8 p -97.95 173.99 6.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -69.45 -40.13 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.449 . . . . 10.0 109.958 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 38.9 m -66.49 -20.13 65.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.977 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.4 OUTLIER -57.16 -40.16 76.71 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.936 0.398 . . . . 10.0 110.789 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -104.81 17.07 24.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.699 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 63.54 29.01 15.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.667 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -76.48 119.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.381 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -124.19 -155.81 0.68 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.516 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.04 157.29 37.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.592 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 65.18 17.11 10.9 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.923 -0.581 . . . . 10.0 112.423 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.2 m -85.56 135.99 33.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.983 0.42 . . . . 10.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -104.31 123.45 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.004 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -109.34 134.18 52.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.889 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -96.72 132.76 42.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -116.89 112.56 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.193 0.521 . . . . 10.0 111.557 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD11 ' B' ' 8' ' ' LEU . 99.4 t -97.28 129.68 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.786 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.071 -179.631 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 458' ' ' ASN . . . . . 0.511 ' HA ' HD21 ' C' ' 477' ' ' LEU . 15.5 t-20 -64.19 -44.05 93.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.22 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.916 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.2 mtm -65.9 -39.11 90.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.422 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.17 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.537 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' C' ' 466' ' ' GLU . 13.1 t60 -61.58 -44.5 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.263 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -38.01 85.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.425 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.421 HG23 HG23 ' C' ' 490' ' ' THR . 61.1 mt -70.24 -36.31 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.492 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -65.17 -27.64 68.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.064 0.459 . . . . 10.0 110.249 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 462' ' ' HIS . 42.2 mt-10 -72.44 -21.66 61.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.398 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 1.3 mtm -97.88 -42.07 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 12.1 m-85 -118.99 93.28 46.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.24 12.42 3.02 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.646 2.231 . . . . 10.0 112.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.31 8.79 27.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.254 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 130.3 24.41 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.418 ' O ' HG23 ' C' ' 476' ' ' VAL . 53.1 Cg_exo -56.84 132.32 51.0 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.877 2.384 . . . . 10.0 112.853 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.41 -42.86 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -65.47 -25.11 67.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.432 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.08 -35.75 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 472' ' ' PRO . 39.7 t -65.64 -42.04 91.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' C' ' 458' ' ' ASN . 17.3 mt -60.32 -30.72 69.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.801 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -60.82 -46.23 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.467 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.522 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.6 t70 -67.62 -40.76 84.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.26 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' C' ' 480' ' ' LEU . 2.3 mm? -59.48 -31.08 69.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.418 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -76.76 -6.92 54.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.737 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -116.54 -54.28 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.644 0.259 . . . . 10.0 111.601 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 483' ' ' THR . . . . . 0.441 ' HB ' HD12 ' C' ' 488' ' ' ILE . 82.2 p -82.79 -39.94 21.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.738 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 63.61 33.72 13.03 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.525 0.515 . . . . 10.0 110.94 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 29.2 t -155.16 129.04 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.324 . . . . 10.0 111.113 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.72 -18.47 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.402 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.46 -18.3 61.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 10.0 110.545 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 488' ' ' ILE . . . . . 0.441 HD12 ' HB ' ' C' ' 483' ' ' THR . 10.8 mt -106.84 -42.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.773 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.522 HG23 ' HB3' ' C' ' 479' ' ' ASP . 59.3 m -56.85 -58.87 6.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.464 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.11 -35.22 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.534 -179.025 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 4.2 t70 -71.17 -40.37 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -57.75 -40.63 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.284 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.84 -41.25 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.484 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.447 HD22 ' HG3' ' A' ' 49' ' ' GLN . 29.7 mt -67.2 -44.27 80.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.596 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.455 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.785 0.326 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.46 131.9 54.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.855 0.36 . . . . 10.0 111.042 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -123.2 162.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 132.29 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 10.0 111.085 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -116.89 121.17 67.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.76 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -102.16 135.37 43.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.994 0.426 . . . . 10.0 110.672 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -103.5 172.29 6.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.049 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.3 -16.37 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.366 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -7.07 58.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 10.0 111.243 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.76 10.23 65.26 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.825 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.857 0.361 . . . . 10.0 110.322 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -104.58 126.36 51.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.197 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.05 156.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 122.38 46.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.525 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.9 mt -115.72 136.49 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.206 0.527 . . . . 10.0 112.189 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.09 108.95 20.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.089 -0.959 . . . . 10.0 108.992 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -138.08 -178.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.678 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -139.23 158.04 69.87 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -30.08 74.03 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.176 1.917 . . . . 10.0 112.679 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -1.46 55.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 10.0 112.094 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.77 147.66 39.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.812 0.339 . . . . 10.0 110.674 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 p -93.84 150.19 20.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.236 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -58.92 -37.31 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.17 -42.92 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.171 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.09 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 10.0 110.162 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 22' ' ' THR . 58.3 t -62.35 -42.14 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.219 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.14 -35.66 81.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.565 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.54 78.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.329 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.31 -32.78 73.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.239 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.95 -34.18 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.248 0.546 . . . . 10.0 109.576 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.96 -26.83 63.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.836 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.81 -26.45 49.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -94.96 -57.23 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -88.71 -43.87 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.856 0.36 . . . . 10.0 111.22 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.38 34.09 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.465 -0.874 . . . . 10.0 112.053 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.31 124.5 85.85 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.185 . . . . 10.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -59.64 131.98 43.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.517 2.145 . . . . 10.0 111.965 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.5 Cg_exo -56.92 -20.61 37.15 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.126 2.55 . . . . 10.0 112.655 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -32.86 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.328 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 18.27 19.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.796 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -96.26 107.45 19.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -111.17 103.13 11.53 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.18 112.23 21.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.003 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -102.33 133.68 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.577 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 50' ' ' LEU . 47.9 t80 -133.85 121.9 22.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.415 -0.811 . . . . 10.0 108.886 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.43 12.59 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.537 0.523 . . . . 10.0 111.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.38 10.69 59.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.525 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -134.53 151.95 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.103 0.452 . . . . 10.0 110.459 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -83.26 145.46 29.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.181 0.515 . . . . 10.0 112.002 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.1 mt -95.33 148.23 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.837 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.4 mt-10 -93.22 145.08 24.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.861 0.363 . . . . 10.0 110.866 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -38.46 87.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.436 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.02 37.05 3.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.016 -0.611 . . . . 10.0 113.425 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 54.6 mmm-85 -132.59 160.77 35.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.964 0.382 . . . . 10.0 110.05 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.4 p -102.56 163.5 12.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.209 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 18' ' ' GLU . 67.7 mt -64.75 -32.98 74.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.769 0.318 . . . . 10.0 111.079 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 m -67.0 -21.6 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.141 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 15.7 m-20 -66.49 -25.39 66.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.115 0.484 . . . . 10.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.94 8.73 20.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.445 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 60.46 31.3 20.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.12 116.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.054 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.81 -165.76 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.23 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 42.1 pttt -71.81 153.52 41.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.184 -0.302 . . . . 10.0 110.184 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 35.9 mt-10 73.32 -3.67 2.4 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.202 0.601 . . . . 10.0 112.573 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -63.24 141.16 58.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 10.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -106.87 116.45 31.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.034 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.98 142.64 32.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.713 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -103.48 127.13 50.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.647 -0.252 . . . . 10.0 110.376 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.45 116.07 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 10.0 111.135 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.9 t -109.28 147.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.031 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.59 -171.63 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 10.0 110.801 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 17.2 ttt180 . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.7 ptt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -90.62 133.76 34.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.009 0.433 . . . . 10.0 111.196 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -120.56 159.24 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.889 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 84.4 m-85 -115.91 106.94 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.989 0.423 . . . . 10.0 110.883 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.91 116.21 37.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.536 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.5 126.74 50.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.101 0.477 . . . . 10.0 111.192 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -95.11 164.73 12.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.405 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.95 -8.41 29.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.392 . . . . 10.0 111.218 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -1.77 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.018 0.437 . . . . 10.0 110.68 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.58 13.16 73.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.661 -0.78 . . . . 10.0 112.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -94.32 133.3 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.352 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -106.79 113.38 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.094 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.64 135.0 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 138.2 41.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -143.61 147.21 34.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 10.0 111.404 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -97.8 104.29 16.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.031 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -136.83 160.82 36.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.323 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.433 ' O ' HD12 ' B' ' 56' ' ' LEU . 16.0 mm-40 -115.3 158.9 40.11 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.09 -23.51 53.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 113.377 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.53 5.91 29.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.869 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.91 145.83 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -86.98 147.3 25.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.436 HD12 HD13 ' B' ' 50' ' ' LEU . 45.3 mm -54.9 -40.66 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 10.0 110.751 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.61 -44.27 93.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.53 -38.39 87.06 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.24 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.7 t -60.64 -44.95 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.752 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 46.1 mtmt -65.36 -34.21 77.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.538 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.69 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.085 0.469 . . . . 10.0 109.913 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.31 -32.74 61.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.608 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 26' ' ' VAL . 65.8 mt -70.74 -36.88 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -63.03 -31.81 73.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.127 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.78 -35.46 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.172 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -85.39 -58.03 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.09 -39.28 50.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.31 -6.91 56.16 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.655 -0.783 . . . . 10.0 112.038 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.19 125.96 84.24 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.169 . . . . 10.0 110.618 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.4 Cg_exo -55.43 147.52 56.97 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.944 2.429 . . . . 10.0 112.559 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 22.9 Cg_exo -63.39 -19.31 67.85 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.944 2.429 . . . . 10.0 112.294 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -35.53 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.578 . . . . 10.0 110.113 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -91.26 1.83 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.13 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.424 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 71.4 mt-30 -96.11 113.97 25.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -114.76 100.54 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.0 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.1 mt -90.33 134.05 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.554 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.12 133.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -123.07 110.99 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.873 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.77 6.16 2.58 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.782 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.58 -15.22 9.17 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.709 -0.758 . . . . 10.0 111.921 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -96.65 140.79 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -84.62 138.3 32.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.436 HD13 HD12 ' B' ' 23' ' ' ILE . 34.8 mt -85.59 133.33 34.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.529 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -94.22 142.77 27.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.486 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.81 -49.78 72.29 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.73 0.641 . . . . 10.0 112.73 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 36.51 2.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.033 -0.603 . . . . 10.0 114.524 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 48.7 mmm-85 -130.54 163.86 26.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.172 0.486 . . . . 10.0 109.834 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.4 162.3 13.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.842 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.433 HD12 ' O ' ' B' ' 18' ' ' GLU . 66.9 mt -65.91 -24.93 66.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.925 0.393 . . . . 10.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -72.58 -17.7 61.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.366 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -34.1 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 10.0 111.461 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.54 7.4 44.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.752 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 55.9 49.04 16.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -86.21 131.82 33.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.58 -171.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.253 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -78.1 156.33 30.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.293 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 62.01 22.86 13.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.862 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -84.79 140.19 31.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 59.1 m -97.78 122.15 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.956 0.408 . . . . 10.0 110.802 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.26 149.51 35.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.878 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -97.65 130.2 44.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.561 0.219 . . . . 10.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -112.48 110.39 20.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.279 0.561 . . . . 10.0 110.821 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -102.73 151.35 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.272 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.371 . . . . 10.0 110.567 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.791 0.329 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.79 -46.84 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.93 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 37.2 mtm -62.24 -43.54 98.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -60.51 -42.1 95.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -65.74 -43.07 90.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.851 0.358 . . . . 10.0 110.654 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.606 HD11 HG12 ' C' ' 486' ' ' VAL . 65.0 mt -62.07 -33.81 60.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.538 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -62.38 -31.45 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.919 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -72.08 -36.06 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 10.0 110.394 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 5.7 mmm -74.77 -43.98 52.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.237 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -126.66 90.57 49.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.69 3.37 7.86 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.759 2.306 . . . . 10.0 112.591 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -94.36 -4.46 48.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.719 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.63 127.07 27.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.653 0.263 . . . . 10.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.456 ' HD2' HD12 ' C' ' 475' ' ' LEU . 51.2 Cg_exo -53.59 141.77 62.28 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.153 2.569 . . . . 10.0 113.222 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.47 -40.53 82.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.685 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -66.31 -26.89 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.294 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' C' ' 475' ' ' LEU . 12.3 mt -75.85 -38.94 57.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.946 -0.391 . . . . 10.0 109.946 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.45 -41.7 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.71 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 35.7 mt -64.63 -26.01 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.006 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.78 -49.45 68.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.884 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.77 -34.44 73.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 10.0 110.316 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -28.24 64.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.417 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 73.7 mt-30 -83.41 -7.6 59.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.283 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.5 mm? -107.87 -56.42 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 10.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.1 p -77.55 -45.61 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.673 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 67.16 26.11 8.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.193 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 21.7 t -147.95 115.54 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.518 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.606 HG12 HD11 ' C' ' 464' ' ' ILE . 3.5 m -56.31 -32.33 35.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.961 0.41 . . . . 10.0 111.738 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.43 -37.43 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.725 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.42 -29.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.374 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 92.4 m -61.84 -59.49 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.476 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.454 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.84 -30.6 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.242 0.544 . . . . 10.0 110.061 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.536 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 39.1 t0 -66.48 -47.25 73.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.417 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -57.04 -36.55 70.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.814 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.82 -45.19 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.71 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -39.62 80.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.728 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 49.9 mm-40 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.981 0.419 . . . . 10.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -102.77 135.5 44.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.893 0.378 . . . . 10.0 111.047 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.51 161.77 18.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.337 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 66' ' ' THR . 73.3 m-85 -113.27 131.94 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.73 120.25 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.737 0.303 . . . . 10.0 110.794 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.88 139.42 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.092 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -123.21 159.68 28.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.73 -15.26 63.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.088 0.47 . . . . 10.0 110.854 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -5.43 59.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.04 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.57 31.7 44.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.979 -0.629 . . . . 10.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -114.53 107.85 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.283 -0.265 . . . . 10.0 110.283 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.42 104.44 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.838 0.352 . . . . 10.0 110.643 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -87.44 134.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.09 123.06 48.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -130.09 155.18 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.087 0.47 . . . . 10.0 111.865 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -93.29 116.5 29.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.697 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -134.09 167.66 25.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 56' ' ' LEU . 41.0 mm-40 -121.48 157.67 55.76 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.03 -39.22 92.01 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.102 1.868 . . . . 10.0 112.047 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.69 5.54 24.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.95 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.8 t0 -74.57 143.76 44.3 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 p -89.89 151.51 21.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.01 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -60.82 -33.78 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 10.0 109.903 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.76 -44.65 96.49 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.008 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -63.3 -36.87 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.959 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 90.1 t -62.91 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.81 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -63.13 -39.53 94.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.395 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.164 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.91 -42.74 89.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.041 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 26' ' ' VAL . 67.8 mt -64.9 -34.99 74.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.303 0.573 . . . . 10.0 109.475 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.85 -31.77 71.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.924 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -81.16 -22.2 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.361 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -93.94 -54.42 3.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.817 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -84.75 -44.03 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 10.0 111.285 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -24.76 9.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.366 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 44.1 mt -64.45 123.39 82.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 122.318 0.247 . . . . 10.0 111.264 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 23.2 Cg_exo -64.46 148.69 90.74 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.569 2.179 . . . . 10.0 112.205 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.5 Cg_exo -56.07 -23.32 43.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.222 2.615 . . . . 10.0 112.884 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.53 -29.57 64.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.709 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.54 21.93 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.754 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -106.43 100.15 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 14.4 mtp180 -97.98 96.73 8.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.19 126.51 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.379 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -122.45 139.63 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 50' ' ' LEU . 62.5 t80 -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 19.94 10.57 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.615 0.572 . . . . 10.0 111.567 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.27 63.15 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.748 -0.739 . . . . 10.0 113.751 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -134.73 152.32 51.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.181 0.49 . . . . 10.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -77.53 151.33 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.3 mt -103.09 141.83 35.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.896 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 64.7 mt-10 -82.74 144.04 30.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.99 -30.82 69.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.304 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.99 7.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.122 -0.561 . . . . 10.0 113.266 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -128.32 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.118 -0.327 . . . . 10.0 110.118 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -109.02 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 18' ' ' GLU . 64.5 mt -65.91 -36.62 83.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 m -65.82 -25.79 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.605 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.84 -34.44 77.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.173 0.511 . . . . 10.0 110.195 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -100.79 10.76 40.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.424 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.65 34.43 20.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.75 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.18 124.28 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.189 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -112.24 -164.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.05 154.13 40.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.769 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 67.63 14.73 9.61 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.803 0.689 . . . . 10.0 112.39 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -82.5 148.7 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.799 0.333 . . . . 10.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.3 m -111.49 122.52 48.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.764 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.29 156.84 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -107.7 127.39 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.71 -0.223 . . . . 10.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -107.67 100.53 9.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 10.0 110.153 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 79.5 t -88.96 136.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.778 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.72 175.91 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.455 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.211 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.45 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -104.99 135.0 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.065 0.459 . . . . 10.0 111.664 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -118.32 152.45 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.87 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -104.41 121.56 43.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.647 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.52 118.41 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -105.32 134.49 48.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.885 0.374 . . . . 10.0 110.695 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -102.29 173.23 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.98 -8.09 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.21 -4.2 46.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 10.0 110.969 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.44 -12.88 67.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.55 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -66.01 126.04 27.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.802 0.335 . . . . 10.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -116.23 111.55 20.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.85 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.48 152.51 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.096 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.81 127.7 56.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.012 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.6 148.53 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.009 -0.277 . . . . 10.0 111.339 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.06 120.54 31.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.759 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -142.92 -177.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -146.69 159.96 42.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.712 -0.848 . . . . 10.0 108.712 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.64 -48.66 15.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.485 2.123 . . . . 10.0 112.228 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -82.61 63.43 6.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 10.0 111.181 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -138.58 123.46 18.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.433 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.8 141.51 51.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.333 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.4 -38.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.601 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.63 -38.62 81.85 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.396 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.17 -36.4 79.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.905 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.43 -39.22 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.927 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -62.41 -34.19 76.26 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.312 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.61 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.195 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.52 -36.18 83.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.02 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.67 -40.96 71.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.24 -42.26 94.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.37 -20.88 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.978 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -103.72 -57.63 2.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.92 -13.75 55.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 27.21 71.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -103.61 122.74 43.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -56.54 139.83 88.39 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.584 2.189 . . . . 10.0 111.988 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.4 Cg_exo -59.24 -20.54 55.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.728 2.285 . . . . 10.0 112.225 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -17.47 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.53 11.11 19.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.951 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.9 106.59 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.37 94.28 4.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 mt -84.73 120.72 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.414 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -119.76 131.72 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.915 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 89.3 t80 -130.57 127.58 39.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.37 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 27.42 16.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.747 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.94 6.65 86.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.048 -0.596 . . . . 10.0 113.07 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -123.44 140.42 53.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.351 . . . . 10.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.61 137.02 35.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.184 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.0 mt -89.93 138.52 31.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.629 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -87.89 146.76 25.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.002 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.81 -31.8 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.309 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.37 32.31 5.56 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.956 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 30.1 mmt180 -126.04 158.34 35.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 10.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 162.54 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.087 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.28 -37.4 87.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 10.0 111.256 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -15.36 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.49 -32.12 70.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.284 0.564 . . . . 10.0 110.104 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.452 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.4 m-85 -103.37 11.26 36.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.082 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' C' ' 484' ' ' ARG . 59.5 t30 60.94 39.32 16.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.554 0.692 . . . . 10.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' B' ' 59' ' ' TYR . 67.3 mt -86.82 103.31 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.577 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 4.5 tt0 -94.89 -168.79 1.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.543 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 1.0 OUTLIER -72.3 161.12 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 32.5 mt-10 71.5 8.74 6.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.047 0.539 . . . . 10.0 111.907 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.7 m -82.02 144.11 31.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.273 -0.269 . . . . 10.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -108.04 122.8 47.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.26 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.75 134.97 49.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.288 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -94.64 122.25 37.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.756 0.312 . . . . 10.0 110.74 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 tp -101.05 106.18 17.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -98.24 140.85 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.614 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.983 0.421 . . . . 10.0 111.137 -179.455 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -64.82 -41.59 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.215 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.69 88.25 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.717 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.5 mtm -67.52 -40.46 85.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.489 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.78 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.71 -41.23 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.022 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' C' ' 467' ' ' MET . 26.4 tp60 -64.97 -41.39 95.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.315 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.96 -33.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.32 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -64.95 -29.44 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.146 0.498 . . . . 10.0 109.944 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -78.23 -14.01 59.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.23 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.433 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 87.9 mmm -96.18 -37.06 10.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.1 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -132.94 83.1 53.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.693 179.276 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.2 41.69 0.9 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.928 2.419 . . . . 10.0 112.655 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -137.32 -19.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.64 130.91 35.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.494 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.54 130.17 35.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.787 2.325 . . . . 10.0 112.742 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -51.29 -41.97 60.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 10.0 112.288 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -66.46 -30.97 71.43 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.39 -34.24 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.8 -43.88 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.758 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.29 -26.48 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.406 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.13 -53.52 43.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.6 -26.78 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.216 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -29.92 66.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -88.77 -6.18 57.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.91 -61.09 1.43 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.14 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.8 p -77.92 -39.24 43.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.022 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.429 ' HB2' ' ND2' ' B' ' 60' ' ' ASN . 7.3 mtt180 57.48 37.77 27.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.321 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -157.18 116.52 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.073 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.79 -23.77 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 10.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.13 -21.69 62.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 19.1 mt -107.43 -40.19 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.247 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.439 ' O ' HG13 ' C' ' 493' ' ' ILE . 21.1 m -56.03 -64.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.902 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -36.05 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.758 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 11.0 t70 -66.54 -54.75 20.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.115 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -16.77 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.475 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 489' ' ' THR . 18.0 mt -65.61 -42.03 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.79 -35.66 75.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.269 -0.878 . . . . 10.0 110.265 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.568 179.385 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -116.28 133.69 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -122.97 160.05 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.177 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 66' ' ' THR . 94.9 m-85 -115.43 129.28 56.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.14 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.3 126.43 74.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -111.4 133.98 53.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 10.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -98.41 171.32 8.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.815 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.7 -14.5 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.148 0.499 . . . . 10.0 110.573 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -8.58 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.686 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.05 17.06 59.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.063 -0.589 . . . . 10.0 113.001 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -95.02 129.64 42.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.928 0.364 . . . . 10.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.16 121.43 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.441 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.57 131.3 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.46 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.8 114.86 27.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.242 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 30' ' ' ILE . 56.8 mt -117.63 147.03 43.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.061 0.457 . . . . 10.0 112.007 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -101.16 119.47 38.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.226 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG2' ' A' ' 1' ' ' MET . 13.0 m -143.55 165.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.067 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 26.6 mm-40 -119.5 159.87 44.18 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.4 -27.53 49.37 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.542 2.161 . . . . 10.0 113.18 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.98 1.3 53.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -73.4 128.49 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 10.0 110.776 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.58 145.53 34.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.439 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.16 -38.65 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.984 0.421 . . . . 10.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.69 -39.25 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 10.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -68.64 -37.8 79.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 22' ' ' THR . 99.2 t -62.31 -42.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.186 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -63.33 -32.99 74.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.555 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.19 80.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.79 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.27 -32.5 73.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.667 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 15' ' ' LEU . 75.8 mt -72.3 -44.97 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.785 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -59.73 -34.59 73.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.127 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.62 -26.45 68.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.425 . . . . 10.0 112.051 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.93 -46.97 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.52 -34.94 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.399 . . . . 10.0 111.84 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.51 -24.96 28.27 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.014 -0.613 . . . . 10.0 111.819 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.57 122.9 64.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 122.712 0.405 . . . . 10.0 111.076 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.5 Cg_exo -57.77 136.71 77.15 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.605 2.204 . . . . 10.0 112.271 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 38.0 Cg_exo -58.0 -22.71 56.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.908 2.405 . . . . 10.0 112.662 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.58 -22.11 63.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.41 0.624 . . . . 10.0 110.831 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -104.92 8.6 34.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.289 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.16 115.24 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.263 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -112.03 99.15 7.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.29 119.98 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.923 0.392 . . . . 10.0 110.827 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.96 141.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -139.83 117.36 11.45 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.97 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 6.62 88.09 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.856 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -115.02 143.64 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.244 0.522 . . . . 10.0 110.779 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -88.56 131.03 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.912 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.38 143.56 27.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.9 mt-10 -94.14 149.7 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.708 0.289 . . . . 10.0 110.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -42.89 99.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.76 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 45.28 3.34 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.754 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 29.6 mmt180 -138.4 165.62 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -111.97 170.37 8.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.811 0.339 . . . . 10.0 110.606 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.79 -34.47 78.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.913 0.387 . . . . 10.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m -64.54 -26.98 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.361 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.42 -25.38 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.01 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -111.16 10.57 21.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.735 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.99 27.91 17.75 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.379 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.77 125.86 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.796 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -134.23 -153.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.304 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -68.72 155.56 39.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.271 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 67.72 4.57 3.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.901 -0.591 . . . . 10.0 112.479 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -85.59 130.7 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -101.7 118.48 37.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.16 146.2 24.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.114 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.548 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 29.2 m80 -105.59 151.97 23.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.419 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.45 117.88 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.371 0.605 . . . . 10.0 111.914 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.625 HG13 ' HB ' ' C' ' 490' ' ' THR . 37.6 t -98.63 145.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.306 -0.861 . . . . 10.0 109.485 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD13 ' HG2' ' C' ' 487' ' ' GLU . 67.2 mt -103.05 -174.91 2.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.783 0.325 . . . . 10.0 110.891 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.445 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 12.4 ttt180 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.786 -0.449 . . . . 10.0 109.786 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -103.31 141.02 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.986 0.422 . . . . 10.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.35 159.94 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.779 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -117.79 115.16 24.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.852 0.358 . . . . 10.0 111.091 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -103.34 114.93 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -103.3 124.36 48.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.15 0.5 . . . . 10.0 110.868 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.77 165.6 14.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.329 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.96 -20.39 57.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.218 -0.446 . . . . 10.0 112.002 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.5 p -83.83 -5.1 59.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.101 0.477 . . . . 10.0 111.025 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.27 -11.54 65.39 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.614 -0.594 . . . . 10.0 111.614 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.66 127.09 30.25 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.869 0.366 . . . . 10.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -114.28 107.8 16.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.285 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.45 133.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.912 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -99.67 120.34 39.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.303 -0.628 . . . . 10.0 109.303 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.45 156.51 33.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 10.0 111.594 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -101.59 120.18 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.219 -0.9 . . . . 10.0 110.102 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.3 m -139.41 173.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 47.5 mm-40 -125.76 157.92 67.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.54 -31.14 77.4 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.572 2.182 . . . . 10.0 113.244 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.28 9.72 27.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.925 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.95 138.81 39.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.72 -0.392 . . . . 10.0 110.03 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.0 m -86.93 143.29 27.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.677 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 46.5 mm -53.08 -42.19 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.539 -0.3 . . . . 10.0 111.249 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -40.52 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.623 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.1 -35.33 76.34 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.994 0.426 . . . . 10.0 109.898 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 56.9 t -62.9 -43.59 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 23.6 mtpt -61.72 -39.2 90.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.29 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.59 -41.9 98.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.47 -39.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.244 0.545 . . . . 10.0 109.852 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.28 -37.24 86.46 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.483 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.91 -20.78 61.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.788 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -91.77 -64.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.762 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -80.54 -31.12 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 112.161 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.57 -7.64 59.7 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.863 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.89 122.18 86.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.509 -0.182 . . . . 10.0 110.509 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -55.34 140.71 82.18 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.075 2.517 . . . . 10.0 112.883 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 25.2 Cg_exo -62.52 -22.59 74.19 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.077 2.518 . . . . 10.0 113.117 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.17 -21.92 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 10.0 110.655 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -101.29 -3.94 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.346 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -89.44 120.23 30.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.64 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -121.91 95.5 4.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 mt -82.03 131.19 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.577 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -126.32 131.25 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.432 ' HB3' HD21 ' B' ' 50' ' ' LEU . 64.5 t80 -128.35 120.58 27.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.622 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 28.48 17.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.735 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.33 80.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.827 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -108.37 128.58 54.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.667 0.234 . . . . 10.0 110.448 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.15 134.03 40.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.3 mt -82.37 130.29 35.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.909 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -89.15 135.37 33.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.91 0.386 . . . . 10.0 109.978 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -47.74 19.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.363 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 37.14 2.84 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.663 -0.78 . . . . 10.0 114.343 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 54.6 mmt-85 -130.31 166.03 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.339 0.57 . . . . 10.0 110.031 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.1 p -104.89 175.72 5.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.743 0.306 . . . . 10.0 110.203 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.8 mt -70.63 -32.75 70.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.152 0.501 . . . . 10.0 110.206 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.3 m -72.8 -15.32 61.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.726 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.7 m-20 -70.22 -26.7 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.063 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.62 13.93 15.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.213 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 62.1 39.64 12.78 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.408 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.58 90.61 2.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.164 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -79.94 -177.83 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.2 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -71.04 156.71 39.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.056 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.83 12.93 8.71 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.216 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.1 m -83.17 147.1 28.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.718 0.294 . . . . 10.0 110.226 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.6 m -103.81 129.39 51.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 10.0 111.052 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.432 HD23 HD11 ' B' ' 50' ' ' LEU . 3.1 mp -113.28 144.98 41.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.704 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -97.78 125.17 42.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.373 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -102.71 104.62 14.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 10.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -96.9 133.01 40.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.708 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.045 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.477 0.18 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.06 -43.39 98.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -44.83 87.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.822 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.8 mtm -62.71 -43.03 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.822 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.98 97.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.806 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -38.19 90.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.652 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -64.28 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 10.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.444 HD11 HG12 ' C' ' 486' ' ' VAL . 92.7 mt -71.62 -38.51 67.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.916 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.67 -34.46 72.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.115 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.24 -37.36 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 14.6 mtm -79.49 -39.98 30.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.903 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 27.9 m-85 -120.49 80.31 30.16 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.54 39.19 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.405 2.07 . . . . 10.0 111.891 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -142.38 15.37 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.895 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.6 p -124.9 132.7 24.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.157 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.12 129.27 32.56 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 10.0 112.783 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.83 -41.61 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -66.07 -27.72 68.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 475' ' ' LEU . 18.1 mt -72.96 -39.67 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.05 -47.58 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.21 -29.82 71.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.46 -51.73 47.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.291 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.64 -34.09 77.08 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.5 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -24.29 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.139 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -91.41 -14.83 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 10.0 110.729 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.57 -52.17 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.116 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 483' ' ' THR . . . . . 0.484 ' HB ' HD12 ' C' ' 488' ' ' ILE . 28.4 p -82.24 -34.16 28.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.951 0.405 . . . . 10.0 110.673 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.69 19.62 10.76 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.253 -0.885 . . . . 10.0 111.79 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -154.6 134.73 13.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.012 0.435 . . . . 10.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.444 HG12 HD11 ' C' ' 464' ' ' ILE . 28.3 m -67.64 -15.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.128 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 487' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 71' ' ' LEU . 13.1 mt-10 -75.3 -21.44 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.374 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 488' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' C' ' 483' ' ' THR . 0.0 OUTLIER -105.11 -32.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 10.0 110.956 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 34.9 m -57.93 -51.76 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 10.0 110.877 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.625 ' HB ' HG13 ' A' ' 70' ' ' VAL . 14.7 p -72.08 -33.68 68.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 10.0 110.671 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 56.8 t0 -63.38 -61.34 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.289 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -52.39 -28.27 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.366 -0.834 . . . . 10.0 112.808 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.72 -43.19 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.54 -23.06 65.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 10.0 110.371 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.5 mm-40 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.303 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.459 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -96.39 133.93 40.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.384 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -124.94 155.99 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.686 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.69 113.34 24.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.048 0.452 . . . . 10.0 111.14 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -96.1 125.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -100.59 137.68 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.506 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -109.16 165.98 11.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.5 mt -73.35 -2.78 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 10.0 111.235 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -2.09 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 10.0 110.831 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.16 -0.36 78.44 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.98 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -82.67 133.27 35.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.736 -0.273 . . . . 10.0 110.499 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.39 133.7 49.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.201 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.31 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.45 119.8 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' LEU . 32.5 mt -116.96 135.83 53.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.12 0.486 . . . . 10.0 111.7 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.85 107.47 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.049 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.61 172.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.471 . . . . 10.0 111.693 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.3 mm-40 -118.25 158.04 47.5 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.58 -24.6 78.74 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 121.77 1.647 . . . . 10.0 111.315 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -4.88 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.962 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -71.81 145.0 48.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.62 150.89 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.172 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.89 -32.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.245 0.545 . . . . 10.0 110.153 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.59 -46.58 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.49 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.93 -33.23 73.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.73 -43.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.065 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -62.81 -34.44 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.151 0.5 . . . . 10.0 110.401 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.36 -40.53 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.074 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -64.62 -33.03 74.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.206 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.84 -46.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -67.17 -28.54 68.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.44 -37.78 73.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.506 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -106.22 -42.42 5.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -85.55 -36.72 20.28 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.662 0.615 . . . . 10.0 112.662 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.42 58.03 2.82 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.027 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -124.15 128.31 25.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.98 125.62 19.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.839 2.359 . . . . 10.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 -20.33 53.75 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.899 2.4 . . . . 10.0 112.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.67 -24.19 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.192 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -106.22 15.85 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.181 0.515 . . . . 10.0 110.757 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -102.37 93.55 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -96.14 96.24 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 133.46 35.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.101 0.476 . . . . 10.0 111.099 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.17 144.42 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.259 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -137.21 114.4 10.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.38 18.58 10.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.733 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 19.86 26.73 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.78 -0.724 . . . . 10.0 113.324 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -137.25 146.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 154.89 38.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.019 0.438 . . . . 10.0 111.484 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.47 130.91 54.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.778 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 mt-10 -83.14 145.63 29.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 10.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.79 -34.58 78.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.357 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.67 41.03 3.05 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.858 -0.687 . . . . 10.0 113.016 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.2 mmt180 -137.12 159.3 42.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 174.48 6.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.0 mt -69.79 -30.27 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 10.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -24.05 62.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.799 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.67 -26.12 68.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.711 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -114.13 15.16 18.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.716 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 56.74 47.69 17.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.313 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -97.43 106.1 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.356 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -97.33 -165.52 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.526 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 48.5 pttt -75.58 152.5 37.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 64.88 20.2 12.05 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.15 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -87.81 153.91 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.1 m -97.58 124.68 41.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 10.0 111.29 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.59 130.97 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.58 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -93.79 132.69 37.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.381 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -119.49 114.83 22.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.038 0.447 . . . . 10.0 111.028 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' C' ' 490' ' ' THR . 72.5 t -104.33 137.54 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.642 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 14.1 mt -100.46 157.81 16.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.46 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -113.02 146.34 39.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.815 0.34 . . . . 10.0 110.999 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -130.5 158.35 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.096 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' B' ' 66' ' ' THR . 96.6 m-85 -112.24 106.45 15.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.943 0.401 . . . . 10.0 110.742 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.423 HG21 HD12 ' B' ' 15' ' ' LEU . 94.5 t -97.44 118.26 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -102.1 135.4 43.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.817 0.341 . . . . 10.0 110.711 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -103.3 168.13 9.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.12 -22.2 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.058 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -10.56 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.658 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.2 62.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.202 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -91.86 125.42 36.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.632 0.254 . . . . 10.0 110.343 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.57 124.33 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.912 0.387 . . . . 10.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -107.65 126.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.366 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.87 108.84 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.542 HD11 HG12 ' B' ' 30' ' ' ILE . 93.8 mt -110.19 143.89 39.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.427 0.632 . . . . 10.0 112.24 -178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -92.28 117.85 30.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.748 -1.115 . . . . 10.0 109.319 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.75 173.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.036 0.446 . . . . 10.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.481 ' O ' HD12 ' B' ' 56' ' ' LEU . 32.5 mm-40 -129.98 154.67 81.23 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.68 -30.15 64.94 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.358 2.038 . . . . 10.0 112.575 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -2.07 51.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.18 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -75.7 135.47 40.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' B' ' 25' ' ' ASN . 0.2 OUTLIER -77.19 153.7 33.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.495 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.7 mm -58.54 -40.64 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 10.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.12 -29.06 70.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.198 0.523 . . . . 10.0 110.05 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' B' ' 22' ' ' THR . 11.9 m-20 -66.01 -41.95 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.46 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 30' ' ' ILE . 20.5 t -62.62 -39.19 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.525 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.01 -42.48 98.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.379 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.32 94.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.501 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.29 -35.89 82.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.271 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.542 HG12 HD11 ' B' ' 15' ' ' LEU . 83.6 mt -72.36 -37.09 57.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.238 0.542 . . . . 10.0 109.663 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.25 -44.7 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -4.82 50.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.502 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -99.68 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.582 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.28 -12.96 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.24 71.1 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.532 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -84.98 126.44 67.93 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.603 -0.147 . . . . 10.0 110.603 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.481 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 48.7 Cg_exo -55.2 133.49 58.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.516 2.144 . . . . 10.0 111.564 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.35 -18.56 63.42 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.82 2.347 . . . . 10.0 112.881 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.97 -42.33 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.46 18.52 4.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.348 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.2 mt-30 -99.79 105.04 16.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.913 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -104.53 100.11 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 mt -91.68 116.63 29.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.962 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -113.48 128.85 70.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.045 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -112.53 95.18 5.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.351 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.61 35.53 24.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.641 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.83 -19.51 54.31 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.106 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -86.61 114.68 23.53 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.3 130.74 42.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.1 mt -88.26 116.03 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 10.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 26.2 mt-10 -85.53 132.96 34.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.189 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.64 -36.99 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 28.6 5.75 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.906 -0.664 . . . . 10.0 114.635 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 15.5 mmt180 -127.85 165.74 19.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.548 0.674 . . . . 10.0 110.274 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -103.86 168.71 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.763 -0.458 . . . . 10.0 109.763 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -66.56 -33.46 75.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.956 0.407 . . . . 10.0 110.453 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -71.23 -11.62 61.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.662 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.04 -27.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.802 0.335 . . . . 10.0 111.259 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.426 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.2 m-85 -107.94 14.12 25.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.64 28.88 13.16 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.068 0.855 . . . . 10.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' B' ' 59' ' ' TYR . 73.8 mt -78.25 120.27 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.2 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.29 -163.29 0.85 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.154 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -74.76 149.87 39.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.791 -0.364 . . . . 10.0 111.377 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 68.25 23.0 7.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.047 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -81.37 152.25 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.1 m -107.68 126.35 52.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 10.0 111.254 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -113.68 136.12 53.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.187 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -95.48 115.42 27.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.284 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.18 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.245 0.545 . . . . 10.0 110.723 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.04 128.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.187 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.187 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.646 0.26 . . . . 10.0 110.619 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -68.66 -39.93 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.596 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 10.0 110.457 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.23 -43.35 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.355 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.703 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -59.5 -45.8 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.123 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -63.47 -34.32 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.153 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.489 HG23 HG23 ' C' ' 490' ' ' THR . 81.6 mt -67.03 -41.96 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.073 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.56 -26.47 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.513 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.27 -23.31 51.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.43 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 20.1 mmt -88.64 -38.76 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.873 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.83 78.42 15.91 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.01 63.02 8.66 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.476 2.118 . . . . 10.0 112.469 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -169.58 24.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.703 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.83 136.19 21.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.25 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.52 121.19 9.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.725 2.283 . . . . 10.0 112.517 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -56.57 -37.6 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.623 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -64.22 -27.28 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.979 -0.289 . . . . 10.0 111.307 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 67.8 mt -79.43 -34.4 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.72 -42.94 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.35 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 11.7 mt -66.15 -25.15 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.693 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -69.35 -48.09 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.03 -35.8 81.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.178 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.6 mt-30 -85.69 -7.68 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 10.0 110.898 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.35 -55.31 2.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.019 0.437 . . . . 10.0 110.95 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 50.1 p -79.08 -45.22 20.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.21 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 65.87 44.89 2.67 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.946 0.778 . . . . 10.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.2 t -163.76 135.7 4.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.91 -20.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.151 0.501 . . . . 10.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.66 11.42 12.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.127 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.1 mt -129.13 -45.1 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.518 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 51.0 m -56.54 -60.23 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.489 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -69.01 -31.29 70.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.235 0.54 . . . . 10.0 110.686 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.508 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 16.0 t70 -68.69 -59.34 3.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.731 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.7 -32.9 63.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.041 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.1 mt -61.49 -37.63 78.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.826 0.346 . . . . 10.0 110.49 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.39 -26.77 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.526 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.497 ' HG3' HH22 ' A' ' 72' ' ' ARG . 6.6 mm-40 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.416 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -103.44 144.17 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.659 0.266 . . . . 10.0 111.114 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -131.95 164.83 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.784 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' THR . 53.7 m-85 -120.74 125.72 48.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.733 0.301 . . . . 10.0 110.384 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.35 119.43 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -89.4 137.72 32.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.791 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 46.6 p -123.2 165.18 17.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.439 . . . . 10.0 111.092 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.7 -8.85 58.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.83 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.6 14.38 21.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.12 41.83 96.84 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.101 -0.571 . . . . 10.0 112.855 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -133.04 124.97 28.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.802 0.334 . . . . 10.0 110.964 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -99.21 108.68 21.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.61 139.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 128.56 53.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.5 150.36 46.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.937 0.398 . . . . 10.0 111.217 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -99.6 123.7 44.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.976 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.88 -179.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.865 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -142.26 159.13 59.51 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.44 -27.72 69.66 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.328 2.019 . . . . 10.0 112.603 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.79 3.38 45.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.655 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.47 149.27 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 10.0 110.586 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.08 150.47 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.138 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.32 -38.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.772 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.03 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -64.93 -35.34 80.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 10.0 109.888 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 30' ' ' ILE . 72.0 t -63.63 -42.07 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.332 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.27 -41.26 88.45 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.65 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.545 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -64.44 -35.44 80.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.403 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.4 mt -69.75 -38.82 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.081 0.467 . . . . 10.0 109.869 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -72.83 -25.16 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.489 0.661 . . . . 10.0 109.462 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.35 -34.37 63.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -94.33 -49.25 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.02 -45.19 10.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 13.8 26.05 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.302 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -90.81 123.49 64.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -57.33 141.8 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.728 2.286 . . . . 10.0 112.229 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -56.6 -23.56 49.29 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.99 2.46 . . . . 10.0 113.006 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.45 -32.54 74.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.197 0.522 . . . . 10.0 110.509 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 12.75 34.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.664 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -105.12 102.98 12.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.51 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -105.67 96.86 6.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.15 116.63 21.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.213 0.53 . . . . 10.0 111.7 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.56 141.48 26.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.889 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 50' ' ' LEU . 36.4 t80 -137.97 126.61 23.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.233 -0.655 . . . . 10.0 109.233 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 15.87 7.13 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.64 0.588 . . . . 10.0 112.273 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.53 1.01 53.26 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.776 -0.726 . . . . 10.0 113.536 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -122.54 150.5 42.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.188 0.494 . . . . 10.0 110.372 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 10.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.8 mt -92.78 154.37 18.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.148 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 30.3 mt-10 -101.35 140.38 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.321 -0.4 . . . . 10.0 109.926 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.37 -40.8 75.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.78 39.82 2.86 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.891 -0.671 . . . . 10.0 113.564 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.5 mmt180 -133.58 165.04 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.411 . . . . 10.0 110.123 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -112.33 169.69 8.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 18' ' ' GLU . 72.2 mt -65.89 -28.79 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 10.0 110.894 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 m -70.97 -25.63 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.141 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -65.7 -27.91 68.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.955 0.407 . . . . 10.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.81 6.67 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.927 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.37 51.78 11.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.585 0.707 . . . . 10.0 110.343 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -92.39 110.15 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.071 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -87.59 -170.39 3.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.795 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -76.78 153.66 34.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.926 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.53 23.61 11.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.163 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 m -83.94 150.53 25.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.019 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.5 m -104.59 116.72 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.97 0.414 . . . . 10.0 111.541 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -99.95 133.91 43.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -91.26 115.65 28.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.703 0.287 . . . . 10.0 110.904 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 51.0 tp -93.78 101.53 13.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.13 0.491 . . . . 10.0 109.944 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.2 t -86.31 120.94 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.653 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.42 149.85 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 16.8 ttt180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 120.694 0.283 . . . . 10.0 111.289 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -106.15 130.73 53.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.044 0.449 . . . . 10.0 111.74 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -118.11 160.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.303 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.46 107.82 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.024 0.44 . . . . 10.0 111.354 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -94.58 115.05 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -99.72 116.96 33.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.153 0.502 . . . . 10.0 111.503 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.21 162.4 26.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.846 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.26 -21.5 63.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.288 . . . . 10.0 111.055 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -9.78 59.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.691 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 -10.13 61.36 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.29 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -68.05 135.18 51.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.822 0.344 . . . . 10.0 110.726 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -107.17 114.77 29.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.448 . . . . 10.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.65 127.6 51.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.885 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.11 129.42 36.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.013 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD11 HG12 ' B' ' 30' ' ' ILE . 11.8 mt -130.6 132.46 45.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.169 0.509 . . . . 10.0 111.573 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -91.68 104.27 16.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.517 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' B' ' 1' ' ' MET . 25.1 m -134.59 170.23 20.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.619 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -125.92 150.68 69.74 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.95 -35.21 24.49 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.056 2.504 . . . . 10.0 113.915 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.9 3.02 24.15 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.883 0.697 . . . . 10.0 112.883 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.63 149.76 29.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.85 145.12 27.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.884 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.46 -39.02 66.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.832 0.348 . . . . 10.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.76 -38.94 86.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.772 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -66.27 -35.69 81.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.194 0.521 . . . . 10.0 109.656 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 45.3 t -64.45 -46.27 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.596 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.57 -36.98 85.58 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.356 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -64.04 -38.53 91.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.46 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -67.0 -28.4 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.581 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 48.7 mt -71.83 -34.33 51.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.265 0.555 . . . . 10.0 109.803 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 1.5 pt20 -69.4 -27.73 65.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.0 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -43.26 43.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -72.79 -50.45 24.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.676 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -91.71 -79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.855 0.36 . . . . 10.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.39 23.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.312 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 10.9 mt -101.82 128.03 29.76 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.5 Cg_exo -57.46 139.13 89.2 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.508 2.139 . . . . 10.0 112.545 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 30.1 Cg_exo -61.27 -21.51 71.96 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.73 2.287 . . . . 10.0 112.497 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -9.5 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.82 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -117.86 16.79 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.63 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -125.54 123.96 40.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.964 0.412 . . . . 10.0 111.716 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -115.0 128.01 56.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.631 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -106.16 125.26 50.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.638 0.256 . . . . 10.0 111.108 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.32 128.23 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.306 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -131.3 124.23 30.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.369 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.81 25.94 15.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.794 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 1.77 83.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.12 -0.562 . . . . 10.0 112.543 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -114.7 143.08 45.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.667 0.27 . . . . 10.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.14 137.7 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.303 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' B' ' 45' ' ' PHE . 55.0 mt -89.28 128.24 35.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.328 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.89 145.17 25.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.113 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -68.68 -18.5 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.802 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.69 23.28 31.36 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.445 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -130.67 169.97 14.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.134 0.492 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 29.6 p -108.02 177.28 4.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.377 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 18' ' ' GLU . 17.0 mt -73.56 -36.34 65.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -72.02 -7.72 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.362 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.3 m-20 -70.78 -50.37 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.061 0.458 . . . . 10.0 110.193 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -93.41 15.13 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.09 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 64.12 27.71 14.09 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.384 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.2 mt -69.92 121.89 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 10.0 109.836 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.91 -172.65 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.109 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -66.63 158.58 29.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.589 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 61.1 16.36 7.06 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.62 -0.718 . . . . 10.0 112.652 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -91.36 135.88 33.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.47 117.75 30.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.153 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.0 137.14 41.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -92.38 126.01 37.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.768 0.318 . . . . 10.0 110.182 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.48 113.63 27.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.292 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -98.05 132.6 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.841 -179.623 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.57 -46.5 88.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.868 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.36 93.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.157 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -70.17 -42.06 72.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.41 79.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -58.28 -37.96 76.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.874 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' C' ' 467' ' ' MET . 21.2 tp60 -65.85 -40.11 91.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -34.96 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.993 0.425 . . . . 10.0 110.115 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -63.0 -25.14 68.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.737 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.58 -18.48 48.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.676 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 36.8 mmm -92.69 -45.91 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.342 0.592 . . . . 10.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.68 88.8 35.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.314 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.98 29.75 0.5 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.19 2.593 . . . . 10.0 112.294 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.21 10.84 4.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.243 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.9 p -117.13 130.77 24.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 10.0 110.453 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 46.7 Cg_exo -57.33 128.19 28.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.331 2.021 . . . . 10.0 112.223 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -56.89 -39.26 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 10.0 111.922 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -65.46 -22.27 66.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.715 0.293 . . . . 10.0 111.453 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 475' ' ' LEU . 23.6 mt -82.75 -35.82 26.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 19.1 t -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 10.0 109.797 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 79.7 mt -65.57 -16.87 64.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.02 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.61 -48.63 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.566 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' C' ' 480' ' ' LEU . 1.0 OUTLIER -57.22 -23.33 47.19 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.195 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 67.4 mt-30 -79.41 -18.78 51.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 10.0 111.187 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.86 -43.08 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.493 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.6 p -81.82 -45.76 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.711 0.291 . . . . 10.0 111.224 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.43 23.12 11.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.3 t -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.89 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.63 -29.19 46.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.156 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -60.4 -35.9 76.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.611 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.99 -35.6 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.431 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.8 m -60.87 -52.85 63.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.747 0.308 . . . . 10.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -33.76 75.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.797 0.332 . . . . 10.0 110.955 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 18.5 t0 -69.32 -43.51 73.57 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.83 -34.17 67.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.88 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 489' ' ' THR . 87.7 mt -64.64 -46.01 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.757 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.72 66.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 12.0 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.701 -0.227 . . . . 10.0 111.069 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.4 ptt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -91.61 132.01 36.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -120.3 150.81 22.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.68 116.26 31.63 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.7 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -109.43 121.98 63.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -102.99 148.52 25.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.997 0.427 . . . . 10.0 111.39 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -111.94 166.03 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.9 -19.19 65.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.395 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -13.79 59.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.1 15.53 38.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.403 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -102.45 130.91 49.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.632 0.253 . . . . 10.0 110.631 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -105.08 130.43 53.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.641 0.258 . . . . 10.0 110.546 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 mt -112.6 137.11 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.632 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.93 124.16 47.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.368 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -123.93 147.57 47.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 10.0 111.564 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -98.45 110.43 23.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.761 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.1 m -138.52 166.1 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.124 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.9 mm-40 -123.55 159.1 56.85 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.47 -29.01 38.13 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.563 2.175 . . . . 10.0 113.466 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 3.4 31.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.215 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.08 136.8 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.991 0.424 . . . . 10.0 110.193 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 149.41 26.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.55 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.39 -37.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.207 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.1 -44.04 91.93 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.944 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -64.39 -35.03 79.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 10.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 30' ' ' ILE . 42.5 t -65.04 -40.72 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.719 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -59.2 -40.97 87.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.051 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.26 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.612 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.89 -36.89 84.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.494 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 26' ' ' VAL . 80.3 mt -68.68 -41.0 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.241 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.43 -33.5 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.785 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.55 -24.0 67.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.476 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -106.77 -45.43 4.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.61 -40.58 13.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.08 39.61 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.592 -0.814 . . . . 10.0 112.754 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.56 122.62 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.7 Cg_exo -55.51 143.39 78.35 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.855 2.37 . . . . 10.0 112.499 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.6 Cg_exo -62.65 -17.77 60.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.965 2.444 . . . . 10.0 112.497 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.76 -34.68 78.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -100.97 3.1 41.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.125 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -87.82 95.81 10.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.827 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -99.32 93.52 5.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 10.0 109.604 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 50' ' ' LEU . 44.7 mt -80.97 125.48 30.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.446 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.27 138.93 50.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.263 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -132.19 118.57 19.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.245 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.46 19.84 10.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.79 -0.641 . . . . 10.0 112.412 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -10.98 55.14 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.699 -0.763 . . . . 10.0 113.027 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -110.39 151.0 28.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.85 0.325 . . . . 10.0 110.425 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.64 150.87 29.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 111.258 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.3 mt -100.08 138.42 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.633 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.72 135.77 33.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.742 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.97 -43.71 77.83 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.5 16.98 11.49 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.867 -0.682 . . . . 10.0 114.03 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -116.15 158.51 23.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.504 0.652 . . . . 10.0 110.741 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.5 p -98.48 178.54 4.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.1 mt -72.4 -36.49 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 109.886 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.6 m -65.86 -22.82 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.691 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -60.53 -31.68 70.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.25 14.9 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.812 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 61.48 28.75 18.01 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.401 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.58 106.42 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 10.0 110.662 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.45 -164.62 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 157.03 38.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.632 0.253 . . . . 10.0 111.4 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.58 29.49 13.08 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.929 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.2 m -92.13 148.09 22.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.945 0.402 . . . . 10.0 110.59 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -112.31 124.39 52.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.507 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.02 143.37 35.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.024 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.75 121.51 43.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.7 tp -100.31 103.64 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.076 0.465 . . . . 10.0 110.378 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.5 t -98.48 136.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.019 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.32 128.28 43.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.6 ttt180 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.753 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -101.49 130.99 47.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 10.0 111.124 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -118.39 158.71 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.04 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.68 110.65 17.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.154 0.502 . . . . 10.0 111.459 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -102.1 122.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.54 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 90.4 mttt -109.42 127.09 54.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.213 0.53 . . . . 10.0 111.129 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 163.04 15.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.309 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.87 -19.76 53.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -6.67 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 10.0 111.499 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -3.51 63.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.708 . . . . 10.0 112.478 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 81.0 tttt -67.79 137.84 55.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.923 0.392 . . . . 10.0 111.263 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -112.77 103.81 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.991 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.98 129.64 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.915 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -102.58 123.12 45.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.429 HD11 HG12 ' B' ' 30' ' ' ILE . 12.3 mt -126.62 145.03 50.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.962 0.411 . . . . 10.0 111.778 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.54 114.37 26.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.579 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.1 m -135.43 -175.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.529 ' O ' HD12 ' B' ' 56' ' ' LEU . 20.7 mm-40 -139.97 157.49 69.28 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.07 -37.86 69.2 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.32 2.013 . . . . 10.0 112.992 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.94 131.26 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 10.0 110.11 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.8 OUTLIER -70.48 142.39 51.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.903 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 30.0 mm -54.75 -42.63 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.995 0.426 . . . . 10.0 110.505 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.95 -38.81 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.942 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -72.42 -34.21 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 52.5 t -62.38 -47.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.0 ptmt -71.31 -21.91 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.719 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.98 69.6 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 67.6 mttt -67.85 -35.9 79.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 HD11 ' B' ' 15' ' ' LEU . 30.1 mt -71.03 -32.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 10.0 110.602 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.53 -12.7 55.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.029 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -99.13 -54.54 2.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -91.52 -29.57 16.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.845 0.355 . . . . 10.0 111.096 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.94 9.65 58.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.861 -0.685 . . . . 10.0 112.636 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.43 125.92 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 18.2 Cg_endo -61.69 137.44 68.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.51 2.14 . . . . 10.0 112.55 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.3 Cg_exo -58.8 -28.91 88.38 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.01 2.473 . . . . 10.0 113.024 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.67 -29.17 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.413 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.75 17.87 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.892 0.377 . . . . 10.0 110.36 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -108.22 108.36 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.634 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -114.24 115.13 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.147 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.29 132.48 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.81 133.4 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.57 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.0 t80 -129.22 123.08 31.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.206 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.29 21.45 10.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.03 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.86 -10.04 64.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -100.91 133.37 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.516 0.198 . . . . 10.0 110.667 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -77.34 129.13 35.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 34.3 mt -82.09 133.1 35.26 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.065 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 44.4 mt-10 -83.43 149.65 26.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.713 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -46.02 88.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.18 51.89 4.45 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.774 -0.727 . . . . 10.0 113.675 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.497 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 27.5 mmt180 -136.94 170.21 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.952 0.376 . . . . 10.0 110.493 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.22 160.17 16.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.818 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.529 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.1 mt -66.05 -40.19 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.552 0.215 . . . . 10.0 111.545 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.72 -39.52 94.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.873 0.368 . . . . 10.0 111.456 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -98.6 14.89 26.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.394 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 62.66 27.44 16.16 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.0 mt -77.01 119.51 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.0 0.429 . . . . 10.0 110.403 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -130.61 -163.79 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.571 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.94 159.1 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 65.45 4.58 2.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.467 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -84.73 134.06 34.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.731 0.301 . . . . 10.0 110.45 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.619 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.21 137.38 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.666 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -99.22 135.87 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.2 tp -111.18 115.62 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.066 0.46 . . . . 10.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.3 t -111.99 134.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.118 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.837 0.351 . . . . 10.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.83 -47.16 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.477 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.27 99.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 24.7 mtm -65.16 -40.12 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 10.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.68 81.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.418 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.21 -38.42 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.083 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -67.7 -36.38 80.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 36.2 mt -70.44 -35.62 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.925 0.393 . . . . 10.0 110.328 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -63.05 -25.87 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.513 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.67 -17.06 59.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.421 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 82.4 mmm -98.53 -41.37 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.106 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.447 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.8 m-85 -131.95 86.34 47.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.385 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.38 40.43 0.97 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.683 2.255 . . . . 10.0 112.565 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -141.96 14.21 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 10.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.447 HG12 ' O ' ' C' ' 468' ' ' PHE . 7.4 p -113.37 131.08 23.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 120.58 8.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.789 2.326 . . . . 10.0 112.643 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -53.39 -40.81 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.441 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -66.54 -20.63 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.621 0.248 . . . . 10.0 111.639 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' C' ' 478' ' ' GLN . 29.1 mt -87.68 -30.69 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.85 -43.15 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 10.0 109.552 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.13 -23.6 67.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 478' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 22.4 tt0 -71.95 -54.66 9.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.52 -37.98 82.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.646 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -20.81 57.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.729 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -86.32 -17.66 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 10.0 111.062 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.93 -47.74 4.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.382 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 24.4 p -84.18 -44.82 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 10.0 110.541 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.89 18.31 9.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.649 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 66.8 m -145.5 118.04 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.519 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.64 -28.59 23.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.866 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -56.82 -54.36 47.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.166 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.76 -23.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.499 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.7 m -70.19 -54.33 13.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.411 0.523 . . . . 10.0 112.411 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.8 m -60.22 -34.24 73.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.919 0.39 . . . . 10.0 110.503 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.472 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 29.7 t70 -73.86 -38.16 64.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.742 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -54.4 -32.77 57.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.827 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.6 mt -65.13 -44.26 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.82 -24.82 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.749 179.532 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -98.04 125.96 43.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.329 . . . . 10.0 110.856 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -117.2 153.94 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 66' ' ' THR . 98.5 m-85 -117.03 120.14 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.909 0.385 . . . . 10.0 110.58 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 t -109.64 120.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -104.84 134.3 48.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.968 0.414 . . . . 10.0 110.935 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.53 HG22 HD23 ' A' ' 69' ' ' LEU . 41.3 p -99.71 165.28 11.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 71' ' ' LEU . 9.6 mt -65.32 -13.15 57.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 10.0 110.901 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -12.39 59.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.376 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.75 11.47 57.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.571 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -95.58 139.7 31.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.586 0.231 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.71 108.9 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.081 0.467 . . . . 10.0 110.243 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -89.92 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.476 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -118.4 135.13 54.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 10.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.39 141.36 39.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.094 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -98.74 89.45 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.664 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 1' ' ' MET . 6.1 m -121.38 157.49 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.562 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.92 154.26 37.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.19 -32.71 51.32 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.588 2.192 . . . . 10.0 113.387 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.82 0.42 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -84.23 143.97 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.74 148.8 26.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.46 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.63 -39.99 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.176 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 -36.49 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.86 -38.03 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.858 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -41.35 91.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.057 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -57.59 -41.47 81.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.004 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.8 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 10.0 110.235 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -67.47 -32.7 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.346 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.5 -37.15 63.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.41 -35.49 80.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.177 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.147 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -85.9 -53.9 4.83 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.57 -28.84 24.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.93 57.41 Favored Glycine 0 C--N 1.323 -0.186 0 C-N-CA 120.278 -0.963 . . . . 10.0 111.771 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -100.38 121.09 54.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.1 Cg_exo -57.13 141.41 94.32 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.425 2.083 . . . . 10.0 111.974 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.9 Cg_exo -55.56 -23.97 42.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.908 2.405 . . . . 10.0 111.844 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -27.36 66.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.642 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.29 11.0 21.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.45 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.14 92.41 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 10.0 111.309 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -96.32 97.75 9.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.26 126.11 31.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.212 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.4 mp -124.84 139.18 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.048 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -132.83 112.03 11.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.195 -0.669 . . . . 10.0 109.195 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.56 17.96 11.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.31 -8.35 48.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.883 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -107.68 138.95 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.648 -0.325 . . . . 10.0 110.661 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 149.4 38.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 10.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -100.03 136.39 40.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.516 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.08 137.31 33.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.233 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.15 -42.0 84.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.275 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.8 47.2 3.75 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.727 -0.67 . . . . 10.0 112.943 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mmt-85 -142.04 159.39 42.33 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 p -102.78 165.3 11.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.41 -30.82 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.154 0.502 . . . . 10.0 110.475 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -23.8 63.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.535 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.46 -27.55 68.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.2 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -107.95 8.25 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 62.15 32.45 17.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.314 -0.857 . . . . 10.0 110.978 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.8 mt -75.6 109.01 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -95.93 -174.33 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.228 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 63.1 pttt -71.84 155.89 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.76 -0.2 . . . . 10.0 110.748 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 68.88 7.53 6.24 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.8 0.688 . . . . 10.0 112.219 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 m -77.76 141.36 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 4.0 m -100.94 117.54 35.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.969 0.414 . . . . 10.0 110.574 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -96.11 143.74 26.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.833 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -99.86 129.44 45.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.659 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD23 HG22 ' A' ' 7' ' ' THR . 46.8 tp -112.21 105.39 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.976 0.417 . . . . 10.0 110.425 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 44' ' ' ILE . 54.7 t -86.64 127.84 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.07 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 8' ' ' LEU . 18.2 mt -84.44 145.36 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.0 0.429 . . . . 10.0 111.366 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 20.9 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -108.76 144.02 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.06 0.457 . . . . 10.0 111.566 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 pt -124.83 162.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.571 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.93 106.33 11.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 10.0 111.516 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.31 123.83 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -108.54 128.57 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.937 0.399 . . . . 10.0 111.156 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -96.86 172.35 7.93 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.69 -8.1 52.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.989 0.423 . . . . 10.0 111.055 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -2.01 53.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.88 0.96 87.3 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.029 -0.605 . . . . 10.0 112.231 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.49 125.37 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.13 129.01 48.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.803 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.63 123.76 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 128.21 36.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.237 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.64 148.96 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 10.0 111.015 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -97.95 121.32 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.549 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.4 m -142.05 169.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.956 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 56' ' ' LEU . 64.7 mm-40 -128.83 160.75 61.62 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.86 -23.46 50.96 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.106 1.87 . . . . 10.0 112.57 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -91.42 7.57 40.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.588 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -78.48 136.28 37.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.514 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -84.06 147.32 27.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.216 178.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.607 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 51.2 mm -58.25 -40.85 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.24 -36.2 72.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.66 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.9 t30 -70.3 -36.88 74.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.16 -35.01 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.612 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 6.2 mmmm -61.06 -39.0 88.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.66 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.46 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.486 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 29.8 mttt -65.0 -40.67 95.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.31 -38.48 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 10.0 109.536 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.84 -44.59 89.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.9 -8.74 57.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 10.0 111.638 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -106.29 -48.76 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.501 -0.48 . . . . 10.0 112.102 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -102.64 -13.39 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 23.12 70.93 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.528 -0.844 . . . . 10.0 112.763 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.4 mt -87.28 131.7 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.742 -0.269 . . . . 10.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 26.8 Cg_exo -59.95 130.68 35.76 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.564 2.176 . . . . 10.0 112.24 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.5 Cg_exo -59.88 -26.58 82.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.811 2.341 . . . . 10.0 112.737 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -101.43 15.32 29.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.198 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.573 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 66.2 mt-30 -98.88 88.41 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.735 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 47.8 mtt180 -97.3 98.07 9.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.078 0.466 . . . . 10.0 110.222 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.46 126.39 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.677 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.32 127.82 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.311 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.3 t80 -120.94 111.24 17.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.564 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.3 29.87 18.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.976 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.35 -10.53 71.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.608 -0.806 . . . . 10.0 112.725 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.49 132.31 43.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.659 0.266 . . . . 10.0 110.461 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -79.71 130.65 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.0 mt -88.48 114.96 25.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.914 0.387 . . . . 10.0 111.017 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -81.46 151.72 27.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.879 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.27 -46.48 90.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.24 46.73 3.26 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.156 -0.545 . . . . 10.0 112.478 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 38.1 mmt180 -137.14 160.88 37.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 41.7 p -109.2 170.23 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.245 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -69.2 -20.85 63.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.609 . . . . 10.0 109.582 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.96 -5.7 59.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.356 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.3 OUTLIER -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.232 179.546 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 44.5 m-85 -105.14 7.1 33.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.709 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.43 61.77 1.94 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.622 0.725 . . . . 10.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.67 118.64 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.041 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.22 178.76 5.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.9 pttp -73.22 160.61 31.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 62.12 25.0 14.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.818 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -92.22 150.55 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.405 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -93.28 119.77 32.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.73 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.99 115.88 30.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.382 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -81.63 132.35 35.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.721 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -112.38 112.14 23.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.557 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 33.8 t -108.98 135.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.251 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -70.44 -41.28 73.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.989 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.47 98.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.374 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 54.2 mtm -67.32 -35.92 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.487 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.08 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.523 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -58.7 -42.01 87.63 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.365 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.284 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 87.4 mt -71.25 -36.7 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.577 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -61.39 -34.01 74.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.716 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.73 -31.21 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.931 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 45.8 mtm -77.67 -35.76 52.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.137 0.494 . . . . 10.0 111.107 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.468 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.4 m-85 -116.69 82.81 13.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.518 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.94 40.18 0.71 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.779 2.319 . . . . 10.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.63 26.09 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.154 0.502 . . . . 10.0 110.619 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.468 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.6 p -128.31 134.9 26.77 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.324 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.52 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.4 Cg_exo -61.99 119.87 7.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.343 2.029 . . . . 10.0 111.936 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.46 -38.54 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.282 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -65.99 -24.48 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.647 -0.251 . . . . 10.0 111.226 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.52 HD12 ' HG2' ' C' ' 472' ' ' PRO . 36.2 mt -82.07 -35.21 28.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.69 0.281 . . . . 10.0 110.432 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.4 t -63.74 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.88 -26.91 68.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.976 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -68.81 -50.34 51.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.4 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.39 -35.7 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.462 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -26.47 61.29 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.371 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -85.05 -12.33 53.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.923 0.392 . . . . 10.0 110.942 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.6 mm? -100.91 -53.52 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.8 p -77.31 -39.55 47.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.688 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 62.64 24.03 14.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.838 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 t -158.85 129.31 5.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.021 0.439 . . . . 10.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 23.7 m -62.8 -17.57 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.228 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -79.41 -13.31 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.811 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 488' ' ' ILE . . . . . 0.494 HG22 ' ND2' ' C' ' 492' ' ' ASN . 0.7 OUTLIER -114.84 -39.38 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.739 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 15.6 m -55.25 -64.95 0.68 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.434 . . . . 10.0 111.857 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.42 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -56.68 -38.31 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.829 -178.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 32.8 t70 -64.4 -49.71 70.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 10.0 110.396 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 492' ' ' ASN . . . . . 0.494 ' ND2' HG22 ' C' ' 488' ' ' ILE . 11.1 m-80 -61.81 -38.89 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.642 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.23 -41.44 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.225 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -30.64 71.68 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.046 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 38.2 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.376 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.803 0.335 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 16' ' ' GLU . 59.8 mm-40 -98.35 136.53 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.61 161.76 38.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.625 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -114.05 134.47 54.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t -111.68 113.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.856 0.36 . . . . 10.0 110.189 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -90.79 127.48 36.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.717 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -112.5 169.92 8.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.956 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.37 -12.79 60.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.18 0.514 . . . . 10.0 110.743 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -8.38 56.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.378 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.75 6.83 82.35 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.681 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -88.8 104.86 17.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.811 0.338 . . . . 10.0 110.532 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -82.24 104.04 12.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 10.0 110.139 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.66 145.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 128.42 56.3 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.43 148.54 52.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.924 0.392 . . . . 10.0 111.389 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB2' ' NE2' ' A' ' 2' ' ' GLN . 22.5 tt0 -104.2 112.32 25.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.848 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.46 -169.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.652 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.6 mm-40 -143.33 156.15 60.94 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.27 -35.1 62.58 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 10.0 112.743 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -11.11 60.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.197 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.18 152.41 44.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.961 0.41 . . . . 10.0 110.516 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.42 26.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.102 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.87 -38.98 54.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.965 0.412 . . . . 10.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.427 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 21.4 tt0 -57.92 -38.22 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.485 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -74.47 -33.04 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.087 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 99.6 t -64.06 -45.18 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.225 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 19.7 mtmt -63.38 -34.09 76.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.516 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.886 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.22 -36.29 83.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.07 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 26' ' ' VAL . 89.4 mt -65.29 -41.09 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.17 0.51 . . . . 10.0 109.771 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.97 -30.0 70.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.46 -24.25 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.188 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.45 -46.2 3.9 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -81.74 -35.75 29.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.72 -5.99 79.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.076 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.7 119.7 78.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.33 -0.248 . . . . 10.0 110.33 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.8 Cg_exo -55.74 143.88 78.57 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.397 2.064 . . . . 10.0 112.254 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.8 Cg_exo -59.17 -14.39 23.72 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.826 2.351 . . . . 10.0 112.665 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -43.29 99.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -94.5 4.62 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.383 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -88.47 105.82 17.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -107.56 101.35 10.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.44 133.6 33.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.824 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.18 139.2 51.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.16 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.5 t80 -133.94 120.85 20.85 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.01 16.93 10.28 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.749 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.0 5.53 53.24 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.636 -0.792 . . . . 10.0 113.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -125.57 144.84 50.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.196 0.498 . . . . 10.0 110.691 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.84 145.96 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.607 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 45' ' ' PHE . 47.1 mt -101.14 134.23 44.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.55 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.9 mt-10 -89.62 136.29 33.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.724 0.297 . . . . 10.0 110.676 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 24' ' ' GLU . 1.3 m-20 -58.01 -27.87 63.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.36 -2.58 90.25 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.002 -0.618 . . . . 10.0 113.332 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 33.1 mmt180 -103.0 160.89 14.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.173 0.487 . . . . 10.0 110.234 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 55.3 p -103.8 170.12 8.11 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.895 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.5 mt -65.17 -31.22 72.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.889 0.376 . . . . 10.0 110.585 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.87 -22.32 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.926 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.8 m-20 -65.48 -33.72 76.6 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.34 11.37 38.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.35 38.98 25.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.015 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.5 mt -83.61 121.17 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.366 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -111.02 -169.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.744 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -70.25 154.21 42.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.909 0.385 . . . . 10.0 111.451 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.49 29.24 13.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.651 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -101.5 147.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -104.14 128.12 51.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.192 0.52 . . . . 10.0 111.575 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.52 132.92 51.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.219 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -91.14 118.61 30.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.914 0.388 . . . . 10.0 110.758 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -101.72 103.92 14.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.049 0.452 . . . . 10.0 110.15 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.4 t -91.48 129.16 42.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.316 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -96.96 142.13 29.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.681 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 120.942 0.401 . . . . 10.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -123.5 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 10.0 110.896 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.7 pt -122.29 168.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.329 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.04 114.1 21.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.42 118.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -102.72 129.9 49.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.945 0.402 . . . . 10.0 111.18 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.5 p -94.92 163.48 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -13.44 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -9.99 55.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.231 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.95 20.26 26.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 10.0 113.373 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -102.89 138.81 39.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.079 0.439 . . . . 10.0 110.315 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -112.38 115.51 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 10.0 110.174 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mt -98.81 133.11 42.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.16 122.26 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.71 151.36 51.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.204 0.526 . . . . 10.0 112.253 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 130.82 35.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.508 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -153.46 167.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 10.0 110.695 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -142.62 155.44 63.54 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.091 -1.077 . . . . 10.0 108.091 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 51.1 Cg_exo -53.08 -24.82 26.72 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.364 2.043 . . . . 10.0 113.226 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 4.24 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 10.0 112.071 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -85.33 142.12 29.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 10.0 110.393 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.1 m -89.12 144.69 25.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.582 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 54' ' ' ARG . 52.2 mm -54.13 -39.0 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 120.916 0.388 . . . . 10.0 111.277 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.52 -43.91 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.673 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.81 -36.91 84.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.87 -44.85 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.881 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -65.92 -34.05 77.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.409 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.32 89.04 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.131 0.491 . . . . 10.0 109.793 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.31 -40.11 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.65 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.9 mt -67.84 -33.12 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.054 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.63 -30.81 71.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.463 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.85 -30.44 50.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.087 0.47 . . . . 10.0 110.57 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.53 -50.42 9.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 10.0 112.198 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -97.41 -43.25 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.9 26.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.379 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.4 121.04 84.34 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.483 0.183 . . . . 10.0 110.775 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.95 150.97 60.55 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.737 2.291 . . . . 10.0 112.161 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.45 -17.53 54.19 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.155 2.57 . . . . 10.0 112.991 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.43 -27.64 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.045 0.45 . . . . 10.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -101.44 12.29 37.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.361 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -112.19 123.17 49.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.884 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -133.14 107.84 8.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -95.77 133.8 39.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 10.0 112.012 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.98 123.28 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.952 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.599 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -111.81 113.46 25.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.157 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.46 32.21 20.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.945 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 8.34 69.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.839 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -114.75 116.0 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.762 -0.257 . . . . 10.0 110.484 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.26 126.58 29.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.1 mt -84.38 127.49 34.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.915 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 83.7 mt-10 -84.88 143.43 29.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.58 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.52 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.28 20.41 33.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.613 -0.804 . . . . 10.0 114.084 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.497 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 14.9 mmt180 -120.02 165.7 14.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.731 0.766 . . . . 10.0 110.885 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -108.01 -177.35 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.128 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 36.4 mt -68.34 -42.18 79.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.74 0.305 . . . . 10.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -63.86 -26.54 68.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 10.0 111.359 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.09 -37.19 79.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.123 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.25 11.89 30.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.61 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 63.07 30.1 16.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.533 0.52 . . . . 10.0 111.156 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.417 HG12 ' CD2' ' B' ' 45' ' ' PHE . 55.9 mt -74.61 118.44 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.475 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -128.47 178.92 5.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.297 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -68.0 172.03 6.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.736 0.303 . . . . 10.0 111.055 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 62.67 19.25 11.23 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.236 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -124.62 140.34 53.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.61 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -98.51 141.28 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.684 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.18 139.01 48.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -98.0 127.6 44.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.92 115.77 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 10.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -97.95 125.84 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.693 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.57 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 457' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' C' ' 480' ' ' LEU . 53.6 mt . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.588 0.232 . . . . 10.0 110.793 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.17 -46.38 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 26.6 mtm -64.77 -43.2 94.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 10.0 110.352 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.96 87.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 10.0 110.678 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -60.58 -39.19 87.15 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -66.02 -40.69 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.117 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.506 HD11 HG12 ' C' ' 486' ' ' VAL . 96.0 mt -68.37 -36.56 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -63.26 -22.4 66.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.156 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.68 -23.83 49.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.313 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 31.0 mmm -91.96 -39.91 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.982 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.579 ' O ' HG12 ' C' ' 471' ' ' VAL . 57.7 m-85 -124.73 92.3 48.04 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.6 6.18 5.62 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.702 2.268 . . . . 10.0 111.654 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -108.28 10.69 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.288 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.579 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -115.09 132.04 23.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 32.3 Cg_exo -60.23 125.2 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.459 2.106 . . . . 10.0 112.489 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.68 -40.01 62.48 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.287 0.635 . . . . 10.0 112.096 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 474' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 35.9 p-80 -65.05 -30.76 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.722 -0.217 . . . . 10.0 111.439 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.39 -34.46 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.9 t -64.81 -45.22 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 14.9 mt -64.78 -26.23 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.47 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 478' ' ' GLN . . . . . 0.436 ' HA ' ' NE2' ' C' ' 481' ' ' GLN . 1.4 tt0 -71.26 -45.97 61.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.423 ' OD1' HG23 ' C' ' 489' ' ' THR . 13.6 t70 -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.478 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.45 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -56.8 -25.99 56.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.31 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 47.7 mt-30 -76.26 -12.65 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.198 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.452 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 3.2 mm? -111.61 -48.44 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.71 -0.223 . . . . 10.0 111.422 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 8.2 p -75.18 -39.46 60.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 10.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' C' ' 482' ' ' LEU . 2.1 mpt_? 63.07 24.37 14.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.101 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t -170.9 132.9 0.89 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.765 0.317 . . . . 10.0 111.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.506 HG12 HD11 ' C' ' 464' ' ' ILE . 17.6 m -61.79 -21.36 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.549 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.26 -21.66 66.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.065 0.46 . . . . 10.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -40.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.287 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.45 HG21 HD22 ' C' ' 480' ' ' LEU . 9.7 m -52.7 -56.42 15.66 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 -40.75 75.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.356 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.37 -37.38 60.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 10.0 110.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -55.56 -40.04 71.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.15 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.31 -43.88 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.998 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.264 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 10.0 111.151 179.518 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.878 0.371 . . . . 10.0 110.148 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.49 133.79 35.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.392 . . . . 10.0 110.624 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -120.31 154.15 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -113.12 115.21 27.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.608 -0.269 . . . . 10.0 110.936 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.91 118.61 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -101.4 133.61 45.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.734 0.302 . . . . 10.0 110.884 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 69' ' ' LEU . 33.2 p -102.94 166.91 10.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.001 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' C' ' 463' ' ' GLN . 11.4 mt -67.08 -17.66 64.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 10.0 110.871 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.72 2.51 37.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.04 37.85 48.97 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.948 -0.644 . . . . 10.0 111.519 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -115.63 132.38 56.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -104.64 108.61 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 10.0 110.326 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.61 129.74 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.604 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.74 126.67 52.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.16 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -126.19 148.13 49.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.836 0.351 . . . . 10.0 111.012 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -101.84 97.39 7.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.025 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.4 m -128.85 179.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.007 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -129.83 154.07 81.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.93 -16.29 25.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.849 2.366 . . . . 10.0 113.719 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.54 0.95 50.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -84.1 155.83 22.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.372 0.605 . . . . 10.0 111.801 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.35 146.19 24.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.261 -0.882 . . . . 10.0 110.446 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.05 -41.05 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.923 0.392 . . . . 10.0 110.669 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.45 -31.65 70.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.3 -34.15 59.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 10.0 110.285 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.36 -41.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.623 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 1.9 mmmm -60.74 -38.45 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.417 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.42 93.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.388 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -65.47 -37.32 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.847 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.12 -35.4 71.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.143 0.497 . . . . 10.0 109.899 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.64 -33.68 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.813 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -83.37 4.79 25.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.814 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -115.62 -51.19 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.467 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -102.39 -16.38 16.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.788 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.24 5.5 82.67 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.629 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 67.3 mt -82.9 124.38 76.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 122.084 0.154 . . . . 10.0 110.635 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.8 Cg_exo -59.68 147.26 92.77 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.73 2.287 . . . . 10.0 111.733 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -60.01 -23.83 74.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.726 2.284 . . . . 10.0 112.414 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -23.08 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -103.73 5.98 36.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.079 0.466 . . . . 10.0 110.908 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 77.4 mt-30 -101.73 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.401 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NE ' HD22 ' C' ' 494' ' ' LEU . 2.4 ttt180 -120.44 92.53 3.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -76.89 120.49 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.971 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.98 135.7 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.776 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.3 t80 -138.65 131.4 29.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 25.24 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.444 0.465 . . . . 10.0 111.806 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 22.09 59.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -140.76 158.1 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.637 -0.331 . . . . 10.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.22 137.87 31.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.814 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 45' ' ' PHE . 32.3 mt -91.76 152.57 20.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.43 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -96.92 150.52 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.966 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.8 -42.4 81.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.034 0.445 . . . . 10.0 110.546 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.73 54.6 4.97 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.749 -0.739 . . . . 10.0 112.191 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -145.37 157.3 44.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.75 156.37 18.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.73 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 18' ' ' GLU . 83.7 mt -61.21 -27.36 68.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.111 0.481 . . . . 10.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -26.56 64.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.788 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -69.55 -25.05 63.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.907 0.384 . . . . 10.0 111.216 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -105.56 5.97 31.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 10.0 110.197 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 t30 56.06 44.96 24.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -83.93 113.56 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.093 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.52 -169.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.366 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.05 154.57 41.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.685 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 64.59 24.76 13.07 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.454 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 140.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 124.56 49.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.772 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.14 143.88 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.092 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -99.35 125.43 45.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 7' ' ' THR . 59.0 tp -96.46 92.39 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.083 0.468 . . . . 10.0 110.525 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 54.2 t -78.79 122.81 34.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.357 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.88 131.43 36.42 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 3.3 ttt180 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 10.0 110.839 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -108.41 143.04 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.094 0.473 . . . . 10.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -128.47 165.49 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.302 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' B' ' 66' ' ' THR . 49.2 m-85 -119.98 120.24 35.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 10.0 111.001 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.31 118.49 52.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -103.01 126.98 50.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.975 0.416 . . . . 10.0 111.326 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.557 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -92.31 169.07 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.667 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.57 -22.35 66.28 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.833 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.18 4.96 32.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.856 0.36 . . . . 10.0 111.466 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.43 44.65 32.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.335 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.557 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 65.6 tttt -115.67 120.78 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -95.82 105.35 17.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.023 0.439 . . . . 10.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.43 132.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.288 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.8 114.12 26.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.052 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.4 148.19 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.045 0.45 . . . . 10.0 111.909 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.8 126.81 41.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.653 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 m -142.36 -177.65 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.773 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 14.9 mm-40 -147.26 162.81 31.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.25 -33.51 75.77 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.577 2.185 . . . . 10.0 112.286 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 13.49 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.081 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 1.5 t0 -85.79 134.31 33.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 147.05 26.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.662 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 48.4 mm -58.31 -39.89 75.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 10.0 110.369 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.0 -33.96 74.06 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.679 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.2 t30 -69.89 -37.49 76.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.883 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.5 -36.87 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.038 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 5.2 mmmm -58.27 -37.29 74.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.298 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.38 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 74.6 mttt -65.19 -42.26 93.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.82 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.81 -34.47 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.613 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tt0 -68.85 -32.86 72.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.46 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.62 -27.3 63.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 10.0 110.29 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -87.27 -63.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.908 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -85.44 -36.52 20.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.57 15.03 48.28 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.82 128.07 57.63 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.686 -0.257 . . . . 10.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.6 Cg_exo -54.46 139.82 74.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.925 2.417 . . . . 10.0 112.46 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.5 Cg_exo -60.22 -20.86 64.01 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.875 2.383 . . . . 10.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -18.74 61.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -108.41 10.18 27.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.13 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -102.6 113.52 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.267 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -115.32 100.37 8.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 mt -88.66 123.0 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.602 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.5 mt -121.27 127.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.315 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -119.48 115.04 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.635 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.7 27.7 14.73 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.66 -6.94 65.3 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 120.695 -0.764 . . . . 10.0 112.99 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -103.32 125.74 50.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.835 0.318 . . . . 10.0 110.66 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.91 122.62 25.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 23' ' ' ILE . 46.4 mt -71.32 139.77 50.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.121 -178.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -94.04 135.35 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.891 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.41 -25.66 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.85 30.67 6.41 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.925 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -134.26 166.61 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 10.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.4 p -109.7 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.951 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.4 mt -67.27 -36.89 82.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.562 0.22 . . . . 10.0 111.263 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -64.53 -24.91 67.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.471 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -65.49 -26.1 67.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.96 0.409 . . . . 10.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 94.3 m-85 -108.18 5.97 26.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.376 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 61.66 33.91 17.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.496 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' B' ' 59' ' ' TYR . 96.8 mt -78.51 115.24 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.62 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -99.19 -171.25 2.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.965 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -72.06 162.65 29.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.585 0.231 . . . . 10.0 110.88 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 63.38 20.98 12.57 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.922 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.3 m -83.26 144.63 29.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.623 0.249 . . . . 10.0 110.364 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 24.4 m -105.63 120.51 41.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.46 . . . . 10.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.69 135.15 48.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.14 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -93.09 120.01 32.93 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.75 106.85 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.039 0.447 . . . . 10.0 110.973 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 130.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.474 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.489 -179.746 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.714 0.292 . . . . 10.0 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -67.0 -43.49 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.378 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.9 88.48 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.63 -38.79 77.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.63 95.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.653 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -56.29 -38.56 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.719 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 25.5 tp60 -63.13 -37.12 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.03 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.5 -36.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.368 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -65.11 -22.28 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.621 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.66 -12.73 60.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.897 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 38.7 mtm -107.19 -47.89 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.441 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.1 m-85 -117.33 100.92 53.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.01 -0.5 9.61 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.583 2.189 . . . . 10.0 112.733 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.95 31.46 3.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.729 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.441 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.5 p -133.77 132.37 21.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.3 126.45 20.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.389 2.06 . . . . 10.0 111.925 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.93 -38.52 72.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.939 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.44 -29.81 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.483 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.55 -35.31 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 10.0 110.022 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.37 -40.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.409 0.623 . . . . 10.0 109.343 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.39 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.988 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.86 -49.96 16.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.441 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.44 -36.27 83.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -26.82 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -91.15 -2.12 57.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.21 -51.34 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.295 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 62.0 p -89.68 -39.17 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.707 0.289 . . . . 10.0 111.144 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 62.82 32.1 16.08 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.604 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 26.0 t -150.94 115.51 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.315 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -60.77 -28.89 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.769 0.319 . . . . 10.0 111.457 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.52 -15.09 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.722 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 488' ' ' ILE . . . . . 0.476 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 48.1 mt -107.94 -40.01 4.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.171 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -56.23 -58.06 9.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -38.76 82.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.343 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.501 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 16.1 t0 -67.42 -48.27 67.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 492' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 37.3 t30 -52.33 -44.31 65.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.953 -1.022 . . . . 10.0 110.472 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.58 -43.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.28 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.423 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -64.41 -27.72 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.314 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 495' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.683 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -116.05 138.99 50.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.262 -0.274 . . . . 10.0 110.262 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' THR . 36.6 pt -127.03 159.69 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.2 m-85 -114.42 120.63 40.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.935 0.398 . . . . 10.0 110.513 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.04 126.32 52.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.189 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.81 121.22 41.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.197 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -100.3 162.21 13.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.237 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -70.02 -13.77 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.874 0.369 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -10.37 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.929 0.395 . . . . 10.0 111.114 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.74 7.67 61.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.805 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -91.97 128.59 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.682 0.277 . . . . 10.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -102.69 130.81 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -119.51 130.19 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.871 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 2.8 m -96.28 105.96 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.28 140.53 30.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.662 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.23 107.0 18.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.105 -1.072 . . . . 10.0 108.105 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.65 -178.45 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.874 0.369 . . . . 10.0 111.137 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.5 mm-40 -143.3 158.61 57.64 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.71 -35.64 48.36 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.473 2.115 . . . . 10.0 113.11 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.6 1.0 24.12 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.64 132.89 36.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -82.01 145.4 30.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.291 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.49 -34.98 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.888 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.97 -31.28 71.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.773 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.84 -37.11 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 10.0 109.981 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' THR . 58.4 t -59.33 -45.94 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.323 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -68.76 -24.65 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.563 . . . . 10.0 109.774 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.83 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.291 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.65 -36.98 85.26 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -70.04 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.539 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.503 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 39.1 tt0 -68.3 -30.13 69.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.088 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.07 -37.45 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.135 0.493 . . . . 10.0 110.87 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.03 -70.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.856 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.49 -36.7 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.6 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.05 32.86 8.1 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.517 -0.849 . . . . 10.0 112.134 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.0 mt -100.39 126.73 35.03 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.16 141.26 80.54 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.898 2.398 . . . . 10.0 112.076 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.06 -28.91 65.74 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 10.0 112.276 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.24 -20.92 64.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.151 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.92 12.66 28.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.061 0.458 . . . . 10.0 110.622 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -109.07 103.83 12.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.504 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -103.63 102.79 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.99 126.29 34.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.388 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.515 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' A' ' 50' ' ' LEU . 46.8 t80 -137.98 124.72 21.05 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 21.1 11.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.955 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 1.41 64.01 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.145 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -120.28 151.21 39.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.64 -0.329 . . . . 10.0 110.752 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 151.82 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 10.0 110.742 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 45' ' ' PHE . 40.8 mt -101.56 146.56 27.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.662 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -93.81 144.11 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.585 -0.279 . . . . 10.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.83 -47.13 85.9 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.53 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.194 -0.526 . . . . 10.0 113.01 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -140.15 153.73 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -101.63 167.39 10.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.807 0.337 . . . . 10.0 110.37 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 18' ' ' GLU . 56.3 mt -66.12 -31.56 72.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.279 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -21.76 64.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.255 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 10.0 110.934 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -104.29 12.26 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.426 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 62.91 29.43 16.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.213 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.86 125.13 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.981 0.42 . . . . 10.0 110.231 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.87 -166.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.538 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -72.43 148.58 45.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.94 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.76 22.95 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.214 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -82.41 142.4 31.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -97.65 120.79 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.135 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -105.5 130.65 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -92.24 125.06 36.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.964 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 tp -103.46 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.945 0.402 . . . . 10.0 110.35 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.26 131.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -89.03 148.0 23.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.716 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -115.39 138.39 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.927 0.394 . . . . 10.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -124.28 161.9 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.139 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.32 118.56 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.53 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.33 124.0 64.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 20.5 mtpp -105.49 131.62 52.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.007 0.432 . . . . 10.0 110.943 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -88.9 165.19 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.598 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.35 -21.84 65.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.866 0.365 . . . . 10.0 110.968 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.6 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.628 . . . . 10.0 111.446 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.47 4.13 34.94 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 87.1 tttt -84.68 142.91 29.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -117.77 114.12 22.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.764 0.316 . . . . 10.0 110.307 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.12 135.47 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.109 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.44 130.33 38.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 10.0 109.988 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.47 HD11 HG12 ' B' ' 30' ' ' ILE . 87.0 mt -124.8 145.06 49.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.05 0.453 . . . . 10.0 111.09 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -97.69 110.12 22.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.649 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.87 177.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.903 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.527 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -139.05 160.46 62.54 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -35.32 90.07 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.578 2.185 . . . . 10.0 113.312 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 7.42 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.176 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.39 163.04 28.25 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.082 0.468 . . . . 10.0 110.599 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -107.99 143.69 36.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.083 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.4 -42.43 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.595 0.236 . . . . 10.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.99 -39.6 82.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.695 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -65.55 -37.18 85.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.301 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 22' ' ' THR . 47.3 t -65.06 -39.42 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.044 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.47 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 1.9 mmmm -60.47 -39.58 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.892 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.52 87.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.638 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.93 -34.01 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.228 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.47 HG12 HD11 ' B' ' 15' ' ' LEU . 64.6 mt -71.71 -36.24 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.77 -28.73 64.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.041 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.71 -25.56 61.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.936 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -102.15 -60.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.88 -38.09 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 10.0 111.788 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.17 39.38 6.08 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.133 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -108.85 127.7 26.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 110.408 -0.219 . . . . 10.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.4 Cg_exo -52.79 136.57 59.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.863 2.376 . . . . 10.0 112.275 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.3 Cg_exo -59.83 -22.81 69.86 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.569 2.179 . . . . 10.0 112.437 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.63 -21.66 55.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.707 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -98.72 -8.62 25.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.96 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 73.5 mt-30 -86.33 111.47 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 10.0 112.074 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -111.78 92.17 3.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -80.46 118.54 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.177 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -118.14 126.96 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.105 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -117.76 110.09 17.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.644 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.32 30.01 19.47 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.248 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.33 -17.18 59.46 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.186 -0.53 . . . . 10.0 112.625 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -90.41 125.0 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 10.0 110.847 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.97 136.05 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.48 129.54 41.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.347 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.7 mt-10 -89.07 145.49 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.3 -41.13 83.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.29 42.35 3.08 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.887 -0.673 . . . . 10.0 113.347 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.2 mmt180 -137.15 159.97 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.2 p -101.95 168.71 9.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.2 mt -67.56 -32.72 73.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 10.0 110.672 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.87 -13.32 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.261 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.2 m-20 -67.54 -31.66 71.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.854 0.359 . . . . 10.0 111.112 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.3 m-85 -104.93 13.7 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.142 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.1 t30 62.68 30.39 16.88 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.831 0.707 . . . . 10.0 110.776 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.8 mt -77.47 123.22 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.75 -172.05 1.99 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -69.85 163.71 25.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.459 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 54.49 55.68 7.75 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.2 m -121.75 140.19 52.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.458 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -102.74 131.28 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.935 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.45 156.68 26.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.318 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -115.3 136.62 52.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.21 106.72 16.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.058 0.456 . . . . 10.0 111.138 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.97 124.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.471 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.815 -179.44 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.97 0.414 . . . . 10.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -59.79 -53.7 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.566 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.6 80.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 9.8 ttm -65.64 -38.44 89.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.19 81.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.17 -35.27 76.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.286 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' C' ' 467' ' ' MET . 20.1 tp60 -62.08 -43.21 99.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.94 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.51 -36.34 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.407 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.36 -28.08 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.512 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -74.67 -30.28 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.58 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 24.7 mmm -79.96 -43.42 22.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.812 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.469 ' O ' HG12 ' C' ' 471' ' ' VAL . 43.0 m-85 -123.2 96.55 44.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.15 12.79 2.84 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.38 2.054 . . . . 10.0 112.403 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.52 19.16 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.423 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.469 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.6 p -123.57 135.33 26.01 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 36.9 Cg_exo -62.9 127.8 21.39 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.42 2.08 . . . . 10.0 112.345 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.01 -43.79 63.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.488 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -63.8 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' C' ' 475' ' ' LEU . 22.5 mt -73.33 -34.6 65.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.2 -43.41 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.52 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 477' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 72.3 mt -62.24 -25.72 67.98 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.779 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -72.72 -47.61 45.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.8 t70 -63.13 -35.49 80.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.497 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.31 -19.92 62.34 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.297 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 481' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 54.8 mt-30 -86.79 -21.88 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 10.0 110.404 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.32 -55.17 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.683 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.7 p -83.63 -44.98 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.204 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 66.96 23.15 9.91 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.724 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 m -147.43 124.7 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.55 -23.67 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.009 0.433 . . . . 10.0 111.469 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -67.02 -16.06 64.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.131 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 2.8 mt -111.07 -39.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.663 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.423 HG23 ' HB3' ' C' ' 479' ' ' ASP . 26.2 m -58.37 -52.92 63.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.263 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 m -59.7 -39.51 84.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.942 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.07 -33.98 68.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.913 0.387 . . . . 10.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.56 -36.61 71.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.48 -40.25 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.24 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.64 -42.58 82.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.346 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.927 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -113.48 141.53 47.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 10.0 111.379 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -125.93 160.08 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.755 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -117.29 104.05 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.974 0.416 . . . . 10.0 110.994 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.25 134.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.755 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.86 135.83 53.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.922 0.392 . . . . 10.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.0 164.74 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.255 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.41 -21.31 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.909 0.385 . . . . 10.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -5.95 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.246 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.91 1.75 70.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -75.0 138.65 42.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 10.0 111.022 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -108.89 126.29 52.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.953 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -116.47 119.2 61.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.987 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.04 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.57 140.45 26.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 10.0 110.969 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.08 120.68 27.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.849 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.62 176.24 8.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' H ' ' HB2' ' A' ' 21' ' ' ASP . 5.7 mm-40 -138.49 162.13 55.02 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.91 -28.47 77.73 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.388 2.059 . . . . 10.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 5.98 47.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.761 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.6 t0 -74.21 143.64 45.07 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.876 0.37 . . . . 10.0 110.223 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.731 ' HB ' ' OE1' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -91.27 149.08 21.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.887 -179.46 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.0 -40.38 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.477 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.731 ' OE1' ' HB ' ' A' ' 22' ' ' THR . 8.9 pm0 -64.82 -32.15 73.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 65.2 t30 -69.01 -38.04 79.02 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' THR . 57.6 t -63.62 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -59.48 -42.7 92.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.582 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.49 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.827 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.52 -40.85 92.96 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.02 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -73.95 -37.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 10.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.34 -37.1 84.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.75 -24.15 31.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 10.0 111.293 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -82.94 -49.58 9.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.637 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.3 -38.81 9.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.672 0.249 . . . . 10.0 111.672 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 13.4 22.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.5 -0.857 . . . . 10.0 112.349 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.91 122.94 66.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -57.42 137.74 82.93 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.878 2.385 . . . . 10.0 112.364 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.1 Cg_exo -59.68 -25.91 80.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.076 2.517 . . . . 10.0 112.291 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.32 -22.27 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.504 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -109.17 10.05 25.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.079 0.466 . . . . 10.0 110.433 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -98.53 97.43 8.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -99.28 95.31 6.97 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.68 121.26 27.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.65 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG21 ' CE2' ' C' ' 468' ' ' PHE . 3.5 mp -132.53 127.3 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -122.57 115.6 22.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.313 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.42 37.12 27.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 10.0 112.089 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -14.64 63.78 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.93 -0.652 . . . . 10.0 113.923 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -101.88 127.78 48.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.104 0.452 . . . . 10.0 111.037 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.49 142.66 32.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.56 116.69 27.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 138.63 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.514 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.78 -8.76 54.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.71 11.51 61.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.731 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -124.23 178.01 5.56 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.513 -0.404 . . . . 10.0 110.896 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.0 p -115.95 175.83 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.48 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 86.3 mt -67.98 -28.14 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.875 0.369 . . . . 10.0 110.806 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.8 m -71.22 -22.71 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.29 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.02 -26.2 63.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.033 0.444 . . . . 10.0 111.301 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -105.25 8.14 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.942 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.84 37.5 18.55 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.65 0.594 . . . . 10.0 110.889 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.08 116.7 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -101.38 -160.44 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.803 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -80.54 155.79 26.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.47 16.76 10.02 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.343 0.402 . . . . 10.0 111.878 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 m -85.81 150.49 24.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.686 0.279 . . . . 10.0 110.499 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -97.33 136.32 37.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.51 106.36 11.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CB ' ' HB3' ' C' ' 467' ' ' MET . 43.9 m80 -83.56 130.11 34.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.054 0.454 . . . . 10.0 110.967 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.3 tp -109.33 125.96 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.539 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.39 136.73 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.618 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.23 145.76 27.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.302 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.899 0.381 . . . . 10.0 110.606 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.4 ptt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -105.19 134.92 47.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.124 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.05 160.59 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.953 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -121.95 126.53 48.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.521 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -111.13 119.51 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -101.74 119.66 39.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 10.0 110.795 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 69' ' ' LEU . 26.5 p -85.88 170.94 11.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.737 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.525 HD11 HG13 ' B' ' 70' ' ' VAL . 71.7 mt -74.42 -10.09 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 0.29 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 36.75 26.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.1 -0.572 . . . . 10.0 111.985 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -122.45 133.43 54.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.99 140.17 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.565 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -103.58 127.16 51.05 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 30' ' ' ILE . 43.1 mt -130.7 146.02 52.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.872 0.368 . . . . 10.0 111.644 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -96.27 117.39 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.114 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 m -139.21 173.94 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.939 0.4 . . . . 10.0 110.904 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -131.23 158.8 74.21 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.534 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.93 -33.14 81.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.361 2.041 . . . . 10.0 112.673 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -91.44 19.82 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 112.053 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.95 140.56 29.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.7 OUTLIER -82.49 148.38 28.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.178 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.12 -36.95 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.223 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.11 -40.56 90.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.976 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -66.95 -36.0 81.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.871 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 87.4 t -62.98 -42.06 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.96 -37.77 85.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.816 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.27 73.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.755 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 97.1 mttt -72.62 -35.79 67.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.863 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.44 HG12 HD11 ' B' ' 15' ' ' LEU . 62.3 mt -72.04 -39.11 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.437 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 54.7 tt0 -63.03 -32.71 74.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -73.46 -25.81 60.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.822 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -97.07 -44.07 7.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.61 0.596 . . . . 10.0 112.61 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.6 -26.45 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.72 9.44 82.99 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.178 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.5 124.7 60.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 122.084 0.154 . . . . 10.0 110.683 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.8 Cg_exo -54.75 142.13 74.45 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.003 2.468 . . . . 10.0 112.615 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.93 -27.97 86.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.957 2.438 . . . . 10.0 112.762 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -65.81 -18.15 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -110.49 8.99 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.72 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.67 104.66 16.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.37 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -99.37 99.57 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.23 119.76 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.77 127.26 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.184 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -119.81 108.43 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.464 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.16 32.73 22.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.366 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.97 -19.45 54.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.875 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -85.26 130.98 34.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.607 0.242 . . . . 10.0 110.651 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.32 132.01 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.55 139.25 30.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.841 0.353 . . . . 10.0 111.782 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -95.81 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.56 -42.22 82.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 46.81 3.68 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.91 -0.662 . . . . 10.0 113.21 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -140.11 170.24 16.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.65 160.44 17.24 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.7 -37.02 84.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.132 0.492 . . . . 10.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -68.71 -26.27 65.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.333 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -25.51 66.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.478 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -103.1 17.45 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 61.11 31.88 19.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.464 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -88.96 136.07 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.79 0.329 . . . . 10.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.12 -168.92 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -70.71 162.92 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.056 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 57.4 mt-10 67.98 7.37 5.76 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.611 0.569 . . . . 10.0 111.633 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.3 m -100.42 133.21 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.886 0.374 . . . . 10.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -100.52 134.93 42.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.091 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -109.14 146.76 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.803 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -98.77 133.26 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 HG22 ' B' ' 7' ' ' THR . 47.5 tp -116.5 113.61 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.12 0.486 . . . . 10.0 111.138 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.525 HG13 HD11 ' B' ' 8' ' ' LEU . 69.5 t -103.46 140.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.809 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.748 0.308 . . . . 10.0 110.453 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.014 0.435 . . . . 10.0 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -60.24 -47.09 87.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.03 -37.58 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.59 -42.74 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.723 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.08 86.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.717 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -57.13 -39.0 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.738 -0.664 . . . . 10.0 111.173 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -71.73 -39.89 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.494 HD11 HG12 ' C' ' 486' ' ' VAL . 91.8 mt -63.8 -31.49 53.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.35 -13.55 40.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.587 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -78.61 -53.81 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.491 0.186 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.477 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -70.49 -30.75 67.61 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.001 0.429 . . . . 10.0 110.341 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.506 ' O ' HG12 ' C' ' 471' ' ' VAL . 9.3 m-85 -125.93 78.38 69.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.916 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -84.72 9.95 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.365 2.043 . . . . 10.0 112.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -107.74 9.72 29.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.258 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.506 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -114.68 133.03 22.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.587 -0.278 . . . . 10.0 110.657 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -56.68 126.85 23.61 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.732 2.288 . . . . 10.0 112.241 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.44 -41.76 69.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.406 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -63.44 -28.07 69.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.633 0.254 . . . . 10.0 111.597 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 41.6 mt -79.02 -35.0 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.97 -42.18 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.21 -27.46 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.778 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -67.47 -49.13 64.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.33 -38.43 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 10.0 110.49 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -27.77 63.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.426 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.05 -3.98 59.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.231 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -112.2 -52.82 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -79.39 -40.55 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.354 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 63.13 37.23 11.58 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.17 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -160.49 129.35 4.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 10.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.494 HG12 HD11 ' C' ' 464' ' ' ILE . 3.1 m -67.49 -27.93 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.928 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -76.8 5.14 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.483 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 29.0 mt -122.61 -42.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.416 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -75.24 -8.07 55.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 10.0 111.594 -179.229 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.532 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 18.9 t70 -95.12 -61.05 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.33 -26.27 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.907 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 8.1 tt -65.96 -20.35 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.61 0.243 . . . . 10.0 111.267 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -21.09 60.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 10.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.649 -179.21 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -112.13 144.5 41.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.057 0.456 . . . . 10.0 111.456 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -131.7 172.15 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.125 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.0 m-85 -122.79 117.15 25.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.108 0.48 . . . . 10.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.32 115.53 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -96.48 133.96 40.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 10.0 110.826 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.73 164.62 12.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.581 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' HB ' ' C' ' 486' ' ' VAL . 4.8 mt -66.25 -7.17 16.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.917 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -2.01 55.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.154 0.502 . . . . 10.0 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.54 -23.55 35.39 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.355 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.51 140.48 58.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.014 0.435 . . . . 10.0 111.185 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.36 118.28 32.29 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.24 127.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -93.8 110.26 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.88 148.38 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.784 0.326 . . . . 10.0 111.294 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -111.59 103.47 11.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.822 -0.806 . . . . 10.0 108.822 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.57 171.85 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.153 0.502 . . . . 10.0 111.336 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -113.01 159.26 35.31 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.549 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.19 -15.55 40.62 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 122.392 2.061 . . . . 10.0 112.583 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -91.23 -4.03 56.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.491 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.3 132.5 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.705 0.288 . . . . 10.0 110.726 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -83.1 155.32 23.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.131 178.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 47.4 mm -56.54 -38.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.721 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.7 97.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.84 -31.88 72.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.144 0.497 . . . . 10.0 110.18 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 88.8 t -66.8 -45.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 17.5 mtmt -64.21 -33.37 75.64 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.123 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.0 92.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.404 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -63.81 -39.05 93.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.83 -37.47 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.96 -37.85 87.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.52 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.04 -12.95 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.039 0.447 . . . . 10.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -104.75 -73.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.04 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.66 -36.68 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.275 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 29.3 11.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.112 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -104.35 126.72 30.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.11 151.54 58.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.65 2.233 . . . . 10.0 112.414 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 60.9 Cg_endo -72.15 -14.34 28.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.74 2.294 . . . . 10.0 112.579 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.01 -42.45 84.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.277 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -98.67 17.34 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.958 -178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 11.5 mt-30 -104.42 96.9 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.074 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -104.31 109.15 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -90.33 125.65 35.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 10.0 111.335 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.77 138.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.554 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' A' ' 50' ' ' LEU . 66.2 t80 -138.45 121.15 16.34 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.91 25.02 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.493 0.496 . . . . 10.0 111.578 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.43 66.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.885 -0.674 . . . . 10.0 113.547 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -127.34 142.11 51.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.444 -0.445 . . . . 10.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.68 144.79 35.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.94 0.4 . . . . 10.0 111.003 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 45' ' ' PHE . 13.9 mt -96.97 143.2 28.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.825 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 48.3 mt-10 -95.62 145.98 24.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -60.31 -34.38 73.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.903 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.08 29.39 4.27 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.737 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.1 mmt180 -128.01 163.94 23.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.154 0.477 . . . . 10.0 110.072 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.8 p -106.83 172.68 6.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.547 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.99 -30.05 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.263 0.554 . . . . 10.0 109.676 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -69.01 -26.85 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.93 -41.01 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.26 13.53 31.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.66 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 57.2 36.16 27.1 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.516 0.51 . . . . 10.0 111.242 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.29 112.22 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -97.6 -163.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.356 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.56 154.0 32.79 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.168 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.21 14.01 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.683 0.614 . . . . 10.0 112.093 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -77.29 143.1 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.907 -0.317 . . . . 10.0 110.273 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.2 m -98.26 118.52 35.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.897 0.379 . . . . 10.0 110.937 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.81 146.38 30.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.702 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -105.74 135.1 47.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.596 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 HG23 ' A' ' 7' ' ' THR . 53.5 tp -113.05 104.74 12.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.179 0.514 . . . . 10.0 110.855 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.88 135.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 8' ' ' LEU . 39.0 mt -89.52 159.49 17.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.052 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.514 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.8 ttt180 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.927 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -100.71 139.12 36.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.125 0.488 . . . . 10.0 111.256 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.46 165.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.724 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.8 m-85 -116.96 113.55 22.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.771 0.319 . . . . 10.0 111.216 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.82 116.43 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -102.44 133.93 46.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 10.0 111.22 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 p -93.17 169.87 10.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.2 -33.28 74.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.715 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -31.35 70.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.464 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.74 -10.47 9.02 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.66 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.2 123.75 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.737 0.303 . . . . 10.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -103.51 124.51 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.78 131.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.694 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.35 136.95 32.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.519 HD11 HG12 ' B' ' 30' ' ' ILE . 45.6 mt -135.29 146.18 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 10.0 111.557 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -92.4 116.69 29.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.492 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.76 166.34 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.639 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 50.7 mm-40 -124.44 161.87 45.51 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 -24.03 65.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.281 1.988 . . . . 10.0 112.631 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.32 14.55 23.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.457 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -81.91 135.26 35.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 10.0 110.715 -179.741 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.9 OUTLIER -86.58 148.95 25.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.138 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.31 -36.26 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.55 . . . . 10.0 110.445 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.07 -38.83 90.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -71.88 -37.62 70.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.081 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -62.0 -42.38 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.111 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -65.36 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.439 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.79 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.224 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 32.5 mttt -69.35 -37.08 77.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.519 HG12 HD11 ' B' ' 15' ' ' LEU . 37.9 mt -71.67 -31.07 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 10.0 109.584 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 41.9 tt0 -67.11 -26.62 66.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.257 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.94 -28.36 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.011 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -88.35 -54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -91.82 -30.97 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.731 0.271 . . . . 10.0 111.731 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.1 23.3 32.73 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.779 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.17 125.72 55.55 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.852 -0.205 . . . . 10.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -56.26 138.6 83.99 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.762 2.308 . . . . 10.0 112.151 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -59.9 -20.3 59.1 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.145 2.563 . . . . 10.0 113.56 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -18.48 47.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 10.0 110.816 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -104.94 0.17 27.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.977 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -94.0 115.11 27.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.548 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -119.71 102.88 8.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.796 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.71 124.78 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.046 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.92 131.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.544 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.3 t80 -125.01 115.33 20.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.79 28.85 18.58 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.516 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.63 76.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.842 -0.694 . . . . 10.0 112.652 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -96.68 131.38 43.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.818 0.342 . . . . 10.0 110.71 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -79.09 126.5 30.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.103 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.1 mt -83.41 137.15 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.854 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.02 147.48 26.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.26 -50.48 69.39 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.563 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.78 39.26 1.98 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.392 -0.432 . . . . 10.0 113.938 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -139.1 161.16 38.07 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -107.97 170.28 8.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.857 0.36 . . . . 10.0 110.872 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.675 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -28.81 68.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.255 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -62.84 -33.46 75.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.128 0.49 . . . . 10.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -102.56 13.47 34.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.522 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 59.05 32.7 22.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.496 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.28 115.75 23.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.966 0.412 . . . . 10.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.64 -167.62 1.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.009 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 56.4 pttt -77.66 155.37 31.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 69.58 12.62 8.19 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.68 0.613 . . . . 10.0 111.822 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 m -78.88 140.54 38.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 10.0 110.821 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.4 m -99.35 122.22 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.446 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -107.3 144.52 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.917 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -102.1 127.05 49.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.482 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.1 tp -106.44 112.47 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.181 0.515 . . . . 10.0 111.016 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.76 125.86 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.772 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.138 0.494 . . . . 10.0 111.169 -179.457 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 10.0 110.394 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -65.96 -44.65 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.379 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.958 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 460' ' ' MET . . . . . 0.402 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 31.5 mtm -66.39 -37.88 86.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.425 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.82 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.451 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -60.37 -38.66 84.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.474 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 463' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' C' ' 463' ' ' GLN . 0.6 OUTLIER -62.66 -36.11 81.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 110.288 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.49 ' HA ' ' HE2' ' C' ' 467' ' ' MET . 70.7 mt -70.28 -35.45 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.609 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -64.4 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.776 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.74 -24.16 59.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 467' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' C' ' 464' ' ' ILE . 47.8 mtm -91.55 -44.5 9.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 10.0 110.256 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -123.9 78.94 57.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.285 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.49 8.62 2.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.293 1.995 . . . . 10.0 112.615 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.71 -19.78 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.458 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.35 130.28 34.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.395 -0.224 . . . . 10.0 110.395 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.52 128.36 27.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.871 2.38 . . . . 10.0 112.931 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.84 -43.03 63.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -63.75 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.573 0.225 . . . . 10.0 111.495 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 22.7 mt -74.38 -32.53 62.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.9 -41.03 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.277 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.57 -29.93 70.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.871 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -57.56 -56.12 26.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.647 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.2 t70 -67.92 -31.11 70.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.054 0.454 . . . . 10.0 110.343 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.5 OUTLIER -65.71 -13.38 59.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.887 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.11 -24.41 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 10.0 110.062 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.54 -58.55 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.953 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.8 p -87.26 -37.47 17.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.422 . . . . 10.0 109.882 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 484' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 10.0 mtt180 63.44 27.7 15.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.121 -0.945 . . . . 10.0 111.701 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.49 126.97 16.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.79 0.329 . . . . 10.0 111.212 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.433 ' HB ' HD22 ' A' ' 8' ' ' LEU . 22.2 m -64.21 -26.1 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.343 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.37 -3.28 36.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 48.0 mt -119.12 -45.25 2.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.884 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.647 HG23 ' HB3' ' C' ' 479' ' ' ASP . 53.1 m -55.51 -62.56 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.719 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -39.39 85.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.246 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.514 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 25.2 t0 -62.72 -50.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.79 -45.96 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.706 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.34 -42.24 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.08 -19.74 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.004 0.43 . . . . 10.0 110.741 178.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.705 -0.479 . . . . 10.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -103.8 137.59 41.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.861 0.362 . . . . 10.0 110.913 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.03 162.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.23 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -115.4 133.44 56.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.48 117.88 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -90.19 141.43 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.087 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -117.13 166.65 11.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.728 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.73 -7.27 51.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.24 -9.48 38.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.78 0.324 . . . . 10.0 111.156 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.2 17.87 41.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.841 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -104.84 128.2 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.814 0.34 . . . . 10.0 110.744 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.22 108.89 21.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 10.0 110.138 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mt -89.68 151.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.393 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 129.09 49.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.395 -0.595 . . . . 10.0 109.395 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -137.04 156.2 48.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 10.0 111.192 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -100.49 120.79 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.413 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.2 m -140.72 177.37 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.91 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.8 mm-40 -135.75 158.85 73.28 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.98 -34.87 58.53 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.789 2.326 . . . . 10.0 113.621 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 m -85.8 10.66 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.11 149.07 33.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.4 145.06 24.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.847 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.28 -40.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.23 -36.72 80.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.013 0.435 . . . . 10.0 110.11 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.6 t30 -67.23 -37.28 83.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.791 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.42 -39.85 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.16 -41.04 97.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.215 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.81 82.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.959 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 80.0 mttt -67.96 -33.97 75.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.21 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.86 -38.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.525 0.679 . . . . 10.0 109.25 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.33 -52.33 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.066 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -81.85 48.32 1.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.745 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -161.91 -58.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.482 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.16 -27.69 19.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.64 49.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.799 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.9 mt -95.62 121.16 62.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 27.2 Cg_exo -61.25 137.76 72.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.687 2.258 . . . . 10.0 112.052 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.51 -23.8 33.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.284 2.656 . . . . 10.0 112.88 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.45 -30.98 71.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.072 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.43 -4.81 33.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.686 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -84.91 102.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.28 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.45 ' CZ ' HD22 ' C' ' 494' ' ' LEU . 12.4 ttt180 -104.19 87.47 2.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.69 125.38 26.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.405 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.79 141.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.958 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -137.14 116.35 12.58 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 22.38 13.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.543 0.527 . . . . 10.0 111.378 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' HE22 ' C' ' 470' ' ' GLN . . . 91.97 11.23 60.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 10.0 113.272 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -126.08 146.45 49.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.21 147.7 28.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.96 0.41 . . . . 10.0 111.389 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -97.6 134.56 40.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.299 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -84.91 136.62 33.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.738 0.304 . . . . 10.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.79 -39.35 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.921 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.26 39.01 2.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.323 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -135.33 162.76 31.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 63.7 p -108.79 168.89 9.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.261 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.8 mt -63.94 -34.13 77.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 10.0 110.389 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -22.59 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.142 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -65.03 -41.87 94.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.993 0.425 . . . . 10.0 110.554 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.37 8.36 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.512 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 t30 63.41 32.01 14.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 10.0 111.126 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -75.72 124.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.997 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.13 -163.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.987 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -68.35 149.54 49.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.249 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 71.61 2.41 4.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.737 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -68.55 135.25 51.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.802 0.334 . . . . 10.0 110.395 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -101.68 115.34 30.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.097 0.475 . . . . 10.0 110.951 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -94.03 149.29 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.663 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -112.54 121.53 45.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.679 0.276 . . . . 10.0 110.521 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.9 tp -97.39 103.51 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.462 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.68 129.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.454 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -89.85 119.95 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.517 -179.455 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.872 0.367 . . . . 10.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -99.41 135.4 40.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.414 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.09 156.83 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.934 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.4 m-85 -115.72 112.32 21.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.38 109.87 26.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.301 -0.409 . . . . 10.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -99.01 125.23 44.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 10.0 110.987 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.48 162.08 16.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.621 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -56.28 -28.28 58.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.701 0.286 . . . . 10.0 111.6 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -10.95 60.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.924 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.71 -24.05 29.57 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.372 -0.691 . . . . 10.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -56.82 124.94 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.197 -0.501 . . . . 10.0 110.99 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -110.7 111.69 23.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -95.09 132.82 38.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.183 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -98.88 119.59 37.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -123.13 151.73 41.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.001 0.429 . . . . 10.0 110.968 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -105.57 119.77 39.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.57 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.3 m -138.17 172.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.93 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -126.01 158.43 66.0 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.35 -28.41 53.24 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.395 2.064 . . . . 10.0 112.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.15 10.4 14.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.977 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.36 142.31 27.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.4 p -92.87 153.42 18.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.772 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 47.8 mm -58.68 -39.17 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.458 . . . . 10.0 109.82 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.82 -37.46 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.656 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -73.57 -38.03 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.437 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.03 -43.05 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.439 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 44.5 mtpt -62.43 -33.75 75.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.087 0.47 . . . . 10.0 110.606 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.62 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.44 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -72.63 -36.74 68.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.211 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.25 -36.48 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.36 0.6 . . . . 10.0 109.385 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -68.17 -29.12 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.339 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.0 -43.0 36.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -86.37 -51.73 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.69 0.281 . . . . 10.0 111.603 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.05 10.36 14.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.49 -0.862 . . . . 10.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -88.13 122.24 70.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 55.0 Cg_exo -52.08 140.56 49.97 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.187 2.591 . . . . 10.0 112.291 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.4 Cg_exo -57.16 -35.21 98.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.874 2.383 . . . . 10.0 112.781 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -29.28 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 10.0 111.052 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.55 2.21 54.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.943 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -99.13 123.77 43.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.291 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -119.34 100.95 7.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -89.58 121.64 31.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.94 134.82 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.741 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 65.8 t80 -132.49 118.15 18.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.043 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 22.29 13.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.18 -19.54 51.12 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.659 -0.781 . . . . 10.0 113.369 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 25.3 pttt -97.3 138.53 34.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.175 0.487 . . . . 10.0 110.62 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.32 134.58 35.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.9 mt -88.43 132.52 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.181 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.98 148.96 25.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.599 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.27 -40.12 95.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.595 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.45 3.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.114 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 24.8 mmt180 -138.26 160.49 39.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.8 p -104.22 165.5 11.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.256 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.6 mt -65.8 -31.22 72.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.062 0.458 . . . . 10.0 110.287 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -22.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.815 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -70.16 -27.39 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 10.0 111.242 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.419 ' CD2' HD22 ' B' ' 50' ' ' LEU . 85.5 m-85 -106.8 7.11 30.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.53 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 61.87 40.08 13.01 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.797 0.686 . . . . 10.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.8 mt -81.76 115.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.841 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.26 -164.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.673 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 151.63 38.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.741 -0.209 . . . . 10.0 110.493 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 70.66 6.58 5.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.197 0.599 . . . . 10.0 112.016 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -66.43 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 10.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.7 m -101.03 115.42 30.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.561 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -103.23 147.34 27.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.89 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.3 128.67 47.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.268 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 tp -106.16 104.13 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 10.0 110.72 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.59 141.39 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.76 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 10.0 110.969 -179.232 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 457' ' ' LEU . . . . . 0.439 HD22 HD12 ' C' ' 480' ' ' LEU . 22.0 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.645 0.26 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.18 -39.69 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.849 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.67 91.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.826 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 30.6 mtm -68.49 -38.68 81.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.514 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.02 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.546 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -60.43 -44.35 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.683 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -64.28 -35.24 80.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.907 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.481 HD11 HG12 ' C' ' 486' ' ' VAL . 71.6 mt -68.1 -36.55 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -62.9 -29.74 71.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.355 0.598 . . . . 10.0 110.046 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -68.12 -33.91 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 10.0 111.106 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 2.5 mmm -83.45 -42.36 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.53 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.497 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.23 92.39 42.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.552 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.3 10.75 3.1 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.394 2.063 . . . . 10.0 113.5 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 470' ' ' GLN . . . . . 0.442 HE22 ' HA3' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -115.41 17.67 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 10.0 111.421 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.497 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.8 p -119.93 128.43 25.87 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 472' ' ' PRO . . . . . 0.514 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.8 Cg_exo -59.73 132.6 46.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 10.0 112.523 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.26 -44.63 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.885 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -63.58 -31.53 72.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.514 HD12 ' HG2' ' C' ' 472' ' ' PRO . 21.9 mt -74.02 -30.64 62.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.887 0.375 . . . . 10.0 110.071 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 476' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.4 t -71.07 -42.25 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.76 -31.17 71.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.429 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.02 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.409 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.6 t70 -71.63 -37.68 70.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 480' ' ' LEU . . . . . 0.439 HD12 HD22 ' C' ' 457' ' ' LEU . 0.2 OUTLIER -57.12 -36.78 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.11 179.751 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -88.21 0.99 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.008 0.432 . . . . 10.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -54.33 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.4 p -89.82 -35.47 15.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.434 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 65.07 28.25 12.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.743 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.4 t -147.44 118.05 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.361 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.481 HG12 HD11 ' C' ' 464' ' ' ILE . 17.5 m -61.77 -27.37 42.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.918 0.39 . . . . 10.0 110.929 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.78 -25.84 65.8 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.838 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -96.22 -40.85 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.126 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.524 HG23 ' HB3' ' C' ' 479' ' ' ASP . 85.5 m -57.31 -55.19 37.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.487 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -29.59 70.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.731 0.301 . . . . 10.0 110.607 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.17 -40.18 74.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 10.0 109.945 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.336 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 44.0 mt -78.25 -37.47 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 10.0 109.978 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.45 HD22 ' CZ ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -65.5 -45.24 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.426 -0.806 . . . . 10.0 111.298 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.557 -179.399 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.3 ptt? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -94.29 135.88 35.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.889 0.376 . . . . 10.0 111.101 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -121.03 163.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.053 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -119.59 116.41 25.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.17 116.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.47 140.09 29.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.816 0.341 . . . . 10.0 110.085 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.0 p -115.6 168.2 10.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.52 -10.19 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.45 1.52 57.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.684 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 7.08 87.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.271 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -92.11 142.42 27.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.01 0.405 . . . . 10.0 110.513 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -108.83 108.09 18.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.955 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.25 125.13 41.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.594 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -100.94 131.52 46.78 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.67 151.44 48.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 10.0 111.516 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.38 112.43 24.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 1' ' ' MET . 18.2 m -132.18 162.28 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.1 mm-40 -121.81 155.26 60.51 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -50.78 -34.15 43.49 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 122.381 2.054 . . . . 10.0 113.465 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -84.27 5.6 26.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.14 154.49 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.004 0.431 . . . . 10.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 143.93 29.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.659 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.61 -39.69 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 10.0 110.478 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.33 -38.6 80.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.652 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -67.79 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.93 -40.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.603 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.75 -37.81 85.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.858 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.61 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.491 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.04 -40.54 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.019 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -67.03 -38.44 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.78 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -65.91 -35.88 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.016 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.28 -34.16 70.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.177 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -83.55 -53.27 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -85.08 -52.35 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.15 5.5 17.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.525 -0.845 . . . . 10.0 111.891 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.13 123.35 68.84 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.6 143.76 87.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.617 2.211 . . . . 10.0 112.19 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.1 Cg_exo -57.73 -24.45 63.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 10.0 112.656 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.15 -30.64 69.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.442 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -103.73 15.74 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.091 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.37 101.95 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 10.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' HD22 ' C' ' 494' ' ' LEU . 35.2 mtt180 -104.57 91.89 4.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.316 0.579 . . . . 10.0 109.489 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -77.79 127.7 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.954 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.22 137.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.195 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB3' HD21 ' A' ' 50' ' ' LEU . 84.1 t80 -137.43 122.46 19.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.36 27.04 16.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.31 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -7.99 80.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.119 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -104.58 145.52 30.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.2 143.18 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.2 mt -92.56 139.45 30.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.754 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 143.81 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 10.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.93 -26.08 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.09 11.37 65.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.733 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -119.26 164.65 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.128 0.464 . . . . 10.0 110.718 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -105.89 179.48 4.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.735 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.1 mt -69.21 -37.21 77.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 10.0 111.476 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -15.82 63.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.39 -22.52 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -114.91 9.15 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.47 36.37 17.2 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.483 -0.78 . . . . 10.0 111.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.33 110.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.12 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -96.48 -172.83 2.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.768 0.318 . . . . 10.0 111.523 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 64.95 15.44 9.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.82 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 153.49 38.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.719 0.295 . . . . 10.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.7 m -102.87 119.98 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 10.0 111.238 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.63 141.18 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -104.49 121.43 43.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.968 0.413 . . . . 10.0 110.971 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -97.48 98.9 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 10.0 110.208 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.9 t -87.02 128.43 39.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 30.1 mt -78.78 159.08 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.393 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.71 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -115.62 137.38 52.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.957 0.408 . . . . 10.0 111.199 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -123.45 169.09 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.668 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -121.97 133.83 54.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.742 0.306 . . . . 10.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.4 117.05 53.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.738 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -97.42 132.62 42.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.028 0.442 . . . . 10.0 110.465 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 1.2 p -99.52 170.34 8.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.607 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.6 -14.5 62.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.382 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -7.5 58.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.813 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.74 9.98 63.68 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.02 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.447 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 82.9 tttt -87.0 127.34 35.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.294 . . . . 10.0 110.701 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -105.02 103.64 13.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.34 143.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.215 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -104.07 132.16 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -133.19 145.89 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 10.0 111.669 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -91.7 122.12 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.732 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.6 m -142.72 170.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.661 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.8 mm-40 -131.09 163.72 47.21 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.93 -33.71 89.79 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 121.963 1.775 . . . . 10.0 112.037 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.25 9.75 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.136 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.582 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -76.55 128.93 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 10.0 110.523 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.11 145.3 35.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.18 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.42 -38.47 63.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.221 0.534 . . . . 10.0 109.736 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.95 -34.13 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.79 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.4 -35.43 73.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.303 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.694 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.3 mmmm -62.51 -38.23 89.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.83 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . . . -69.43 -30.18 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.64 -36.39 65.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.115 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -71.8 -39.26 67.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.14 -25.43 66.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.392 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.09 -46.88 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.101 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -79.37 -46.82 16.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -89.96 -41.74 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.127 0.788 . . . . 10.0 113.127 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.43 41.42 5.77 Favored Glycine 0 C--N 1.322 -0.226 0 C-N-CA 120.205 -0.997 . . . . 10.0 111.527 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.74 129.27 24.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.93 126.54 18.93 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.743 2.295 . . . . 10.0 112.386 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -54.43 -28.43 54.09 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.899 2.399 . . . . 10.0 113.227 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -14.97 62.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.344 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -105.18 -3.33 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.01 0.433 . . . . 10.0 110.542 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.511 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 77.9 mt-30 -89.66 106.58 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.168 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -109.79 102.26 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.7 122.8 31.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.337 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.68 128.0 75.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.428 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -105.2 100.5 10.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.969 0.414 . . . . 10.0 111.179 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.77 18.53 4.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.725 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.32 -27.7 6.0 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.201 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -88.73 116.74 27.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 10.0 110.41 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.29 135.6 52.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.216 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -92.13 129.46 38.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.281 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -94.73 134.14 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.667 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.87 -34.22 40.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 19.52 10.42 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.178 -0.534 . . . . 10.0 113.726 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -124.83 167.71 14.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.097 0.449 . . . . 10.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.47 162.61 14.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.009 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.25 -36.76 83.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 10.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.473 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.3 -41.8 96.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -89.15 4.15 49.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.013 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 61.38 31.56 19.17 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.094 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.13 113.34 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.066 0.46 . . . . 10.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.99 -170.12 1.59 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.622 -0.717 . . . . 10.0 109.196 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 12.2 pttp -69.75 166.19 19.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.8 mp0 77.13 -27.26 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.697 0.623 . . . . 10.0 111.343 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -62.54 133.54 55.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 10.0 111.289 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.0 m -104.71 127.42 52.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.678 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.47 141.68 31.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.783 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.74 120.06 37.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -102.39 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.005 0.431 . . . . 10.0 111.294 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.82 123.85 56.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.811 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.916 -179.269 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.789 0.328 . . . . 10.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -62.47 -45.69 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.36 81.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.3 mtm -62.08 -37.41 84.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.26 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.964 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.4 -33.93 77.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.865 0.364 . . . . 10.0 110.043 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.54 -37.24 86.56 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 72.6 mt -72.5 -38.52 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.89 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.5 -33.31 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.6 -21.92 61.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.458 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 56.0 mmm -91.04 -43.34 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.748 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.442 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.5 OUTLIER -120.92 82.63 36.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.794 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.97 43.76 1.54 Allowed 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.937 2.425 . . . . 10.0 112.578 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -146.94 17.61 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.475 . . . . 10.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.442 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.5 p -123.22 135.66 26.21 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.575 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 129.49 32.3 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.202 1.935 . . . . 10.0 111.778 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -54.89 -43.36 73.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 10.0 112.018 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -65.83 -27.19 68.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.67 0.272 . . . . 10.0 111.581 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.09 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.919 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.38 -38.56 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.796 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -61.53 -49.22 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.279 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.77 -34.17 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.878 -0.329 . . . . 10.0 110.887 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -30.47 69.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 10.0 110.74 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -81.39 -10.2 59.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 10.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.41 -56.6 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.44 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.4 p -80.01 -39.23 30.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.333 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 65.12 28.74 12.22 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 12.5 t -150.34 120.79 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.904 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.53 -26.36 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.95 -22.44 63.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.15 -34.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.706 -0.225 . . . . 10.0 111.509 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.4 ' O ' HG13 ' C' ' 493' ' ' ILE . 86.8 m -62.63 -60.08 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.694 0.257 . . . . 10.0 111.694 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -34.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.504 0.669 . . . . 10.0 111.046 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 17.8 t0 -70.05 -49.37 51.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.947 -1.024 . . . . 10.0 111.68 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -53.88 -28.38 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.769 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.4 HG13 ' O ' ' C' ' 489' ' ' THR . 77.4 mt -64.62 -39.43 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 10.0 110.389 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 494' ' ' LEU . . . . . 0.504 HD22 ' HD3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.81 179.687 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.985 0.421 . . . . 10.0 110.06 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -93.64 140.18 29.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.309 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.5 165.64 27.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.004 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' THR . 56.8 m-85 -116.77 114.88 24.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.651 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.98 115.32 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -96.05 137.65 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.847 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -113.4 172.04 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD22 ' HB ' ' C' ' 486' ' ' VAL . 35.1 mt -64.77 -17.99 64.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.056 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 p -89.64 0.34 57.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 10.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 -5.49 84.8 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.135 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HE3' HG12 ' A' ' 13' ' ' ILE . 61.2 tttp -71.24 134.67 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.748 0.309 . . . . 10.0 110.521 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -113.86 109.78 19.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.232 0.539 . . . . 10.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.461 HG12 ' HE3' ' A' ' 11' ' ' LYS . 6.1 mt -88.86 138.3 19.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.285 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.91 120.02 40.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.742 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.9 150.47 52.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.996 0.427 . . . . 10.0 111.832 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.26 113.49 25.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.321 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 1' ' ' MET . 16.1 m -133.39 169.59 21.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.372 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 28.7 mm-40 -133.92 158.72 74.75 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.09 -37.29 68.45 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.294 1.996 . . . . 10.0 112.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.73 7.38 8.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.462 0.541 . . . . 10.0 112.462 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -81.75 132.48 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.29 142.09 36.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.605 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -52.87 -41.07 38.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.901 0.381 . . . . 10.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.52 -42.7 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.618 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.26 -36.44 84.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.16 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' ILE . 96.4 t -61.11 -44.93 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.786 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -64.28 -32.71 74.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.5 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.03 90.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.148 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.29 -39.13 91.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.888 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 26' ' ' VAL . 40.3 mt -71.5 -38.07 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.651 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -83.14 -52.91 6.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.854 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -77.28 -67.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.875 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.29 12.32 4.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.337 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.45 126.61 63.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.6 Cg_exo -50.93 143.12 31.61 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.782 2.321 . . . . 10.0 112.623 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 Cg_exo -61.93 -19.09 64.63 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.725 2.283 . . . . 10.0 113.492 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.18 -20.52 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 10.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 89.9 mt-30 -97.67 1.96 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 10.0 109.803 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.54 101.87 13.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.308 -0.86 . . . . 10.0 109.958 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 9.9 mtp180 -98.25 108.53 21.25 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.1 mt -88.66 119.52 29.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.004 0.43 . . . . 10.0 110.929 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.7 mp -114.83 133.45 60.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.33 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.715 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.2 t80 -139.19 126.87 21.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.274 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 22.03 12.53 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.76 20.52 50.45 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.35 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 38.4 mtmt -143.15 162.02 36.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.841 0.32 . . . . 10.0 110.227 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.12 150.39 22.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.759 0.314 . . . . 10.0 110.688 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 45' ' ' PHE . 23.9 mt -102.79 145.85 29.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.488 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.39 150.77 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.627 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.46 -32.16 68.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.35 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.57 35.54 4.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.995 -0.621 . . . . 10.0 113.286 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -130.02 160.39 33.81 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.2 p -99.61 178.57 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.528 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 18' ' ' GLU . 87.7 mt -73.77 -32.38 63.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.064 0.459 . . . . 10.0 109.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -20.78 63.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.637 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -60.65 -37.07 80.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.977 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.86 15.27 25.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.932 -0.577 . . . . 10.0 110.789 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 58.62 42.28 20.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.934 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.52 127.85 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.156 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -121.55 -162.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.0 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -68.94 148.13 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.332 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 62.65 27.03 15.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.744 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.6 m -87.31 144.51 26.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.7 m -101.74 124.9 48.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.765 0.317 . . . . 10.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.79 142.67 45.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -101.44 128.19 47.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.918 0.389 . . . . 10.0 110.23 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.23 101.25 10.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.253 0.549 . . . . 10.0 110.675 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB ' ' C' ' 490' ' ' THR . 74.8 t -89.55 134.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.147 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.1 168.04 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.195 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.421 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 23.0 ttt180 . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 120.746 0.308 . . . . 10.0 110.691 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -110.44 132.96 53.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.588 0.232 . . . . 10.0 111.182 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.14 158.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -115.47 124.43 51.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.709 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 121.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -109.63 132.94 53.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 10.0 111.178 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -95.95 169.39 10.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.16 -19.17 65.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.87 0.367 . . . . 10.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 -10.45 58.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.258 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 -15.51 58.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.037 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -63.77 114.07 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 10.0 110.437 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -109.08 125.89 52.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.425 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.9 160.17 16.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.101 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -112.04 131.77 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.213 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -127.97 147.44 50.49 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.13 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -93.76 123.03 36.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.258 0.551 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.17 -179.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.552 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.4 mm-40 -146.27 164.06 26.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.81 -32.25 65.68 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.389 2.059 . . . . 10.0 113.002 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.4 10.15 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.233 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.67 149.62 26.39 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.215 -0.303 . . . . 10.0 110.239 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -100.73 145.26 28.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.82 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.04 -40.41 72.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.158 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.44 -37.36 80.69 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.24 0.543 . . . . 10.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.8 t30 -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 78.3 t -62.12 -42.21 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.716 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -64.01 -33.39 75.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.869 0.366 . . . . 10.0 110.633 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.995 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.4 mttt -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.512 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.04 -39.05 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.726 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.77 -37.2 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.18 -16.99 60.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.935 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -106.32 -52.59 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.8 -14.79 38.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.33 21.06 79.98 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.983 -0.627 . . . . 10.0 113.101 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.99 121.43 64.17 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.68 -0.306 . . . . 10.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.26 134.72 65.97 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.675 2.25 . . . . 10.0 112.236 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.63 -27.42 41.68 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.148 2.566 . . . . 10.0 113.38 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -21.36 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 10.0 111.147 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -103.52 11.1 36.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.557 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -104.9 133.2 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.484 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -139.06 104.5 5.05 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 79.2 mt -94.86 128.93 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.093 0.473 . . . . 10.0 111.692 -178.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -121.49 131.81 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.17 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.7 t80 -139.36 127.53 22.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.124 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.26 25.07 13.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.296 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.57 4.02 90.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.91 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -109.57 139.83 44.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.709 0.29 . . . . 10.0 110.298 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -81.28 127.17 32.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 21.6 mt -83.28 112.74 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.893 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 45.0 mt-10 -74.95 141.25 44.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.035 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.23 -36.49 70.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.179 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.92 24.33 9.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.731 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -121.46 161.95 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.979 0.419 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -100.58 169.58 8.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.474 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.3 mt -70.41 -32.94 70.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.931 0.396 . . . . 10.0 110.64 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.22 -28.66 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.238 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.06 -44.31 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.233 0.54 . . . . 10.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -89.18 8.77 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.203 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 63.79 30.77 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.571 0.545 . . . . 10.0 111.361 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.2 mt -78.34 107.77 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.772 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -105.14 -164.13 1.01 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.345 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 158.15 36.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 61.67 43.39 9.89 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -110.01 136.98 48.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.398 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -107.41 119.95 40.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.62 135.41 45.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.985 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 29.4 m170 -93.47 126.36 38.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -107.88 110.6 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 10.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.53 134.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.052 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 10.0 111.237 -179.384 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.832 0.349 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.37 -47.2 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.397 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.978 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 13.7 mtm -70.54 -39.76 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.441 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.62 97.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -58.86 -34.8 72.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.786 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.84 -38.69 92.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 10.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 464' ' ' ILE . . . . . 0.412 HD11 HG12 ' C' ' 486' ' ' VAL . 76.8 mt -70.91 -35.64 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -63.71 -24.49 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.641 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.01 -13.08 60.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.963 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 44.3 mtm -102.8 -42.4 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.992 0.425 . . . . 10.0 110.273 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 468' ' ' PHE . . . . . 0.616 ' O ' HG12 ' C' ' 471' ' ' VAL . 15.5 m-85 -122.16 86.48 47.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.918 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.69 -9.72 22.84 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.754 2.303 . . . . 10.0 113.15 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -87.61 -5.66 58.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 471' ' ' VAL . . . . . 0.616 HG12 ' O ' ' C' ' 468' ' ' PHE . 6.1 p -94.21 135.02 24.86 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.96 126.9 20.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.292 1.995 . . . . 10.0 112.071 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -55.28 -37.73 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.208 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -66.5 -27.59 67.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.521 0.2 . . . . 10.0 111.076 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 475' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' C' ' 475' ' ' LEU . 10.3 mt -73.75 -37.43 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 10.0 109.982 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.02 -45.82 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.603 . . . . 10.0 109.52 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -32.49 73.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.591 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -52.14 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.081 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 479' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' C' ' 489' ' ' THR . 23.6 t70 -69.08 -36.28 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.084 -0.246 . . . . 10.0 111.293 -179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.15 -25.89 62.01 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.851 0.357 . . . . 10.0 111.285 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.93 -5.03 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.059 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 482' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -113.72 -61.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.7 p -67.79 -46.05 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.71 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 63.82 25.87 14.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.003 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.5 t -153.48 106.01 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.764 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 486' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 8' ' ' LEU . 11.2 m -57.74 -25.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.918 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 -36.56 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.858 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.36 -30.9 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.152 0.501 . . . . 10.0 110.608 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 489' ' ' THR . . . . . 0.531 ' O ' HG13 ' C' ' 493' ' ' ILE . 58.7 m -61.34 -65.84 0.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.178 -178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 490' ' ' THR . . . . . 0.536 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.48 -35.03 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.953 -178.308 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 491' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 21.0 t70 -65.96 -51.43 58.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.5 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.14 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 493' ' ' ILE . . . . . 0.531 HG13 ' O ' ' C' ' 489' ' ' THR . 66.7 mt -67.25 -40.57 85.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.91 -35.62 59.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.544 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.923 179.515 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -102.17 139.6 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.969 0.414 . . . . 10.0 111.599 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -128.12 156.28 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.537 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -116.43 107.28 14.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.828 0.347 . . . . 10.0 110.947 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -94.24 117.44 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -100.73 141.7 33.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.0 0.429 . . . . 10.0 110.926 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -110.22 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.322 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.45 -9.01 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.385 . . . . 10.0 110.86 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -10.45 44.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.11 35.01 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.87 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -92.69 139.8 30.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 10.0 110.344 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.57 98.34 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -87.98 124.37 41.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.084 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.92 117.55 30.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.218 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.0 mt -119.81 149.53 41.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.189 0.519 . . . . 10.0 111.521 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.35 111.15 23.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.595 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.48 166.04 28.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.626 -0.261 . . . . 10.0 110.492 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -133.38 162.18 59.25 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.22 -31.76 30.23 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.832 2.354 . . . . 10.0 113.693 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -81.08 -5.07 57.21 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -70.66 154.18 42.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.032 0.444 . . . . 10.0 110.301 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -106.02 144.29 32.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.452 -178.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 48.8 mm -55.09 -38.22 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.235 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 10.0 110.359 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -64.19 -38.24 90.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.331 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' THR . 65.3 t -60.71 -43.25 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.001 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -65.22 -35.33 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.493 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.32 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.38 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.9 mttt -64.32 -40.77 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.121 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.59 -33.42 63.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.138 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 65.4 tt0 -65.52 -33.85 76.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.73 -27.62 40.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.993 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 74.9 mmtt -81.9 -56.39 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -97.95 -33.82 11.06 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 96.51 38.06 4.59 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.285 -0.96 . . . . 10.0 112.103 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.19 119.56 50.61 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.0 Cg_exo -55.43 144.97 70.58 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.905 2.403 . . . . 10.0 111.955 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -54.78 -26.73 49.01 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.875 2.384 . . . . 10.0 112.868 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -29.92 70.0 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.995 0.426 . . . . 10.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -99.54 10.8 40.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.416 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.0 105.61 15.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.116 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -115.31 103.61 10.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.06 116.63 22.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.427 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.403 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.5 mp -114.87 138.61 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.021 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -131.76 114.55 14.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.814 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.27 16.07 8.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.146 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 -1.5 34.86 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.562 -0.828 . . . . 10.0 113.527 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -122.81 150.23 43.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.098 0.449 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.81 147.93 26.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.847 0.356 . . . . 10.0 111.281 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.58 131.99 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.021 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.14 140.6 39.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 m-20 -61.71 -32.36 72.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.515 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 37.12 3.03 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -138.31 161.86 35.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 10.0 110.338 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -108.49 176.26 5.18 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.83 -24.45 63.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.243 0.544 . . . . 10.0 110.337 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -73.75 -26.8 60.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.009 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.43 -25.54 67.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.018 0.437 . . . . 10.0 111.096 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -111.27 9.81 21.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.756 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.5 43.23 28.88 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.298 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -78.84 113.94 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 -168.45 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.471 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -70.03 148.71 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.597 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 59.84 27.46 16.78 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -76.34 140.81 41.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.888 -0.325 . . . . 10.0 110.479 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -93.56 125.79 38.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.72 131.6 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.854 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -96.03 110.7 22.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.77 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.31 105.59 17.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 10.0 110.314 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 44' ' ' ILE . 46.5 t -85.42 119.55 34.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.4 153.5 29.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.108 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -159.14 177.15 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 10.0 111.726 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD11 HG12 ' C' ' 488' ' ' ILE . 0.9 OUTLIER -165.94 158.5 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.164 -0.925 . . . . 10.0 109.321 178.627 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -129.79 18.21 5.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 10.0 111.063 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 -69.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 119.153 -0.804 . . . . 10.0 111.162 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 14.9 ptt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.116 -0.328 . . . . 10.0 110.116 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.82 134.0 46.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.4 pt -121.22 159.98 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' B' ' 66' ' ' THR . 77.1 m-85 -118.34 109.84 16.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.846 0.355 . . . . 10.0 111.251 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -97.73 119.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -103.15 129.7 50.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.274 0.559 . . . . 10.0 110.569 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.01 166.76 13.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.542 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.72 -26.83 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -13.16 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.864 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.71 -10.4 52.82 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' CD ' ' B' ' 34' ' ' GLU . 38.4 tttp -63.84 140.59 58.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.292 -0.454 . . . . 10.0 110.092 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -122.33 126.85 48.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 10.0 110.793 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.6 131.35 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.649 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.76 125.38 40.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -120.2 145.7 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.25 0.548 . . . . 10.0 111.88 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.13 107.35 19.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.058 -0.973 . . . . 10.0 109.425 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.2 m -135.37 178.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.86 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HD12 ' B' ' 56' ' ' LEU . 8.8 mm-40 -145.68 158.55 49.66 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.25 -27.7 48.84 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.537 2.158 . . . . 10.0 113.305 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -3.72 53.98 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -84.08 152.8 24.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 10.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 42.0 p -97.3 156.36 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.942 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.69 -36.7 76.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.958 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.0 -41.71 97.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.514 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.064 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 58.8 t -63.22 -41.0 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.83 -40.27 96.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.004 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.39 75.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.523 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.31 -39.48 74.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.036 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.76 -37.37 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.75 -34.94 79.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.28 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.72 -28.75 66.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.128 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -92.68 -64.81 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' CD ' ' HE2' ' B' ' 11' ' ' LYS . 72.7 mm-40 -81.73 -25.66 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 36.29 22.45 Favored Glycine 0 C--N 1.321 -0.304 0 C-N-CA 120.381 -0.914 . . . . 10.0 112.694 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -102.42 126.15 34.02 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.52 136.81 64.94 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.516 2.144 . . . . 10.0 112.001 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.45 -23.27 74.92 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.965 2.443 . . . . 10.0 112.454 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.82 66.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.406 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -92.98 -0.11 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -92.46 99.28 12.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -104.58 97.79 7.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -88.02 128.31 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.042 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -127.74 129.79 70.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.785 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -113.83 99.24 7.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.726 0.298 . . . . 10.0 110.975 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.49 25.64 14.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 112.329 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.27 -14.19 30.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.668 -0.777 . . . . 10.0 112.588 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -89.95 120.21 30.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.609 -0.348 . . . . 10.0 110.522 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -78.78 119.08 21.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 123.71 27.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.478 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.9 144.93 28.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.96 -48.67 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.797 0.332 . . . . 10.0 111.686 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.17 54.92 4.93 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.516 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.467 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.9 mmt180 -139.16 151.5 46.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.449 -0.204 . . . . 10.0 110.449 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.97 150.25 20.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.973 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.9 mt -61.09 -28.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 10.0 111.655 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -70.23 -21.05 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.103 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.26 -18.31 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.692 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.96 -0.45 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.674 0.273 . . . . 10.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 55.32 49.55 16.81 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.436 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.2 mt -85.63 130.19 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -166.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.381 0.61 . . . . 10.0 111.497 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -83.03 147.45 28.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.9 18.23 11.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.985 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 m -80.72 138.91 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.095 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -93.72 130.22 39.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 10.0 111.426 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -114.8 148.85 37.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.527 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -100.78 129.26 46.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.742 0.306 . . . . 10.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.8 tp -112.52 107.38 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.372 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 t -100.48 135.29 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.074 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.45 135.3 37.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -108.19 129.43 55.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.258 -0.428 . . . . 10.0 109.969 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.41 146.73 52.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 61.3 80.27 0.22 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.783 0.677 . . . . 10.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.6 158.8 20.88 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.747 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.691 -1.061 . . . . 10.0 112.112 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.579 0.228 . . . . 10.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 69.02 19.19 8.21 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.274 0.63 . . . . 10.0 111.055 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -33.7 20.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.017 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -92.23 -38.05 12.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.975 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.8 -47.13 86.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.248 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.326 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.77 99.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.351 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 63.8 mtm -64.96 -42.32 94.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.488 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.38 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.802 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -58.62 -38.43 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.652 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.2 tp60 -70.58 -42.68 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.264 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.61 -35.47 67.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.14 -25.05 67.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.851 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -24.21 31.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 110.343 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.4 mmm -81.73 -34.84 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.838 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.429 ' O ' HG12 ' C' ' 471' ' ' VAL . 7.5 m-85 -123.9 86.78 53.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.607 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -77.63 41.06 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.684 2.256 . . . . 10.0 112.369 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -150.04 6.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.255 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.429 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.2 p -107.86 138.85 20.17 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 121.33 -0.148 . . . . 10.0 110.662 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.405 ' O ' HG23 ' C' ' 476' ' ' VAL . 26.4 Cg_exo -65.02 124.98 13.84 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.168 1.912 . . . . 10.0 111.552 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -58.71 -37.35 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.093 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -64.43 -24.16 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 10.0 111.336 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 475' ' ' LEU . 32.9 mt -84.16 -36.37 22.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 10.0 110.235 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.405 HG23 ' O ' ' C' ' 472' ' ' PRO . 15.6 t -63.78 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.331 0.586 . . . . 10.0 109.548 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -24.97 67.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.409 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -76.33 -47.89 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.681 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.26 -34.23 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.163 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -23.32 48.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.608 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.61 -11.05 43.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.871 0.367 . . . . 10.0 110.911 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 -35.16 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.246 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.5 p -98.84 -45.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.98 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.64 30.45 8.28 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.653 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.2 t -160.75 127.06 4.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.567 0.222 . . . . 10.0 110.654 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.88 -26.02 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.929 0.395 . . . . 10.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 39.1 mp0 -68.19 -24.0 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.931 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.409 HG12 HD11 ' A' ' 73' ' ' LEU . 27.7 mt -99.28 -47.88 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.829 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.542 ' O ' HG13 ' C' ' 493' ' ' ILE . 25.9 m -52.78 -64.43 0.82 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -41.63 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 10.0 112.117 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 23.0 t70 -66.51 -48.18 70.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.077 0.465 . . . . 10.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -21.82 66.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.924 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.542 HG13 ' O ' ' C' ' 489' ' ' THR . 51.5 mt -63.3 -39.59 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -31.02 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.571 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.0 mm-40 -70.44 -37.63 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.77 30.29 1.16 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.425 -0.893 . . . . 10.0 113.136 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -77.04 -49.76 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 10.0 109.951 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.435 HD12 HG12 ' C' ' 493' ' ' ILE . 44.0 mt -91.35 135.92 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.037 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -70.63 116.94 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.49 154.59 94.2 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.546 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -67.29 96.8 0.41 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.315 2.01 . . . . 10.0 112.296 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -104.66 135.56 19.3 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.89 102.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.642 2.228 . . . . 10.0 112.482 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.252 1.216 0 CA-C-O 117.878 -1.058 . . . . 10.0 109.156 179.817 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -88.98 135.62 33.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.049 0.452 . . . . 10.0 111.863 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -123.03 161.83 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.255 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -117.71 104.07 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 10.0 111.586 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -92.16 123.49 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -107.74 132.18 53.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.027 0.441 . . . . 10.0 110.979 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 71.3 p -99.29 165.9 11.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.508 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.72 -12.88 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.117 0.484 . . . . 10.0 110.762 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.95 -3.01 57.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.89 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.91 35.71 20.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 10.0 112.154 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.3 144.67 44.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.79 120.78 40.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.122 0.486 . . . . 10.0 110.414 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.45 118.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.194 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.17 24.05 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.08 144.33 44.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 10.0 111.815 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.87 100.81 12.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.465 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 1' ' ' MET . 20.5 m -125.53 174.5 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.54 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 54.6 mm-40 -129.05 157.92 74.39 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.31 -26.74 53.91 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.658 2.239 . . . . 10.0 112.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 9.46 28.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.79 141.52 31.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.078 0.466 . . . . 10.0 110.477 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.68 144.32 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.305 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.0 mm -56.31 -40.36 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.057 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -57.95 -42.3 84.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.52 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.01 -39.16 90.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.241 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -60.78 -43.11 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.692 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -65.4 -35.43 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.436 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.36 86.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.801 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -64.71 -37.87 89.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.995 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.58 -38.12 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 121.356 0.598 . . . . 10.0 109.65 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.34 -36.08 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.89 -30.93 68.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.005 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -96.46 -44.59 7.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -89.64 -34.65 16.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.08 11.95 53.38 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.594 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -92.91 119.86 67.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -53.95 137.83 69.2 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.788 2.325 . . . . 10.0 112.315 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.15 -18.98 67.65 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.905 2.403 . . . . 10.0 111.961 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.02 -25.47 62.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.087 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -102.75 8.01 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.18 116.88 33.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.403 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -118.09 99.15 6.69 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.147 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.11 140.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.868 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -132.67 112.33 11.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.782 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 10.99 7.58 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.966 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.35 -15.32 17.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.391 -0.909 . . . . 10.0 113.035 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -103.39 149.15 25.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.959 0.379 . . . . 10.0 110.315 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.45 144.96 27.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.014 0.435 . . . . 10.0 110.766 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.82 137.19 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -82.31 145.51 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.103 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.8 -38.48 91.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 10.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.25 41.85 3.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.092 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.7 mmt-85 -136.71 165.44 25.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -109.77 169.0 8.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.677 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 45.1 mt -64.24 -34.59 78.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.633 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.7 m -67.9 -19.07 64.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.278 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.88 -24.86 61.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 10.0 111.131 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -114.3 12.95 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.81 32.79 22.56 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.34 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.1 mt -79.11 109.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -99.24 -166.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.017 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -70.98 151.77 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.938 0.399 . . . . 10.0 111.854 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 64.13 11.17 6.02 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.136 -0.938 . . . . 10.0 113.086 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -74.45 145.97 43.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 10.0 110.565 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -92.68 125.42 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.62 128.02 54.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.48 118.26 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.679 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 44.2 tp -99.66 107.92 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.019 0.438 . . . . 10.0 111.052 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.94 136.43 24.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.43 162.82 13.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.378 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -152.67 136.47 16.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.736 0.303 . . . . 10.0 110.504 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.3 102.0 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.183 0.516 . . . . 10.0 110.446 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' C' ' 491' ' ' ASP . 18.6 mmt180 -115.58 106.54 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.82 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.18 41.34 1.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.972 -0.633 . . . . 10.0 111.925 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 CA-C-O 118.199 -1.334 . . . . 10.0 111.648 -179.793 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.194 -0.298 . . . . 10.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -115.45 132.92 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.384 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -121.46 151.57 24.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.022 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' B' ' 66' ' ' THR . 47.9 m-85 -108.57 116.66 32.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.706 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -105.93 119.46 55.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -106.09 124.88 50.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.918 0.389 . . . . 10.0 110.978 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.448 HG22 HD23 ' B' ' 69' ' ' LEU . 64.7 p -82.89 169.59 15.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.46 -27.49 69.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 10.0 109.81 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -20.55 61.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.073 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.64 18.6 20.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.877 -0.678 . . . . 10.0 112.5 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -88.25 122.19 31.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.709 0.29 . . . . 10.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.63 105.19 17.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.06 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.19 125.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.049 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -90.5 137.6 32.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.501 HD11 HG12 ' B' ' 30' ' ' ILE . 42.4 mt -130.69 134.2 46.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.807 0.337 . . . . 10.0 111.412 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -87.92 108.95 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.73 163.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.129 0.49 . . . . 10.0 111.407 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.51 ' O ' HD12 ' B' ' 56' ' ' LEU . 72.3 mm-40 -120.39 158.46 51.06 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.09 -34.56 78.56 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.242 1.961 . . . . 10.0 112.598 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.31 1.79 20.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -77.19 146.32 37.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.9 p -94.19 150.57 20.19 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.763 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.509 HD12 HD13 ' B' ' 50' ' ' LEU . 45.2 mm -56.75 -37.2 52.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.151 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.75 -42.01 98.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.598 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.58 -35.65 77.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.417 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.5 t -60.53 -45.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.62 -32.42 73.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.483 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.49 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.25 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.0 -35.85 79.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.153 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.501 HG12 HD11 ' B' ' 15' ' ' LEU . 19.7 mt -73.35 -32.52 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 31.1 tt0 -63.64 -28.92 70.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.252 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.01 -30.78 39.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.174 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -87.02 -50.09 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.96 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.09 -25.92 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 82.87 26.71 44.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.591 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.43 124.65 37.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.566 0.183 . . . . 10.0 110.794 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.4 Cg_exo -54.46 137.74 72.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.794 2.33 . . . . 10.0 112.411 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.7 Cg_exo -57.02 -21.98 44.62 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.038 2.492 . . . . 10.0 113.396 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.1 -27.51 61.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.401 0.619 . . . . 10.0 110.57 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -98.96 13.04 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.885 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -112.96 124.31 52.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.736 0.303 . . . . 10.0 111.732 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -122.71 110.94 16.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.891 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -98.59 132.96 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.097 0.475 . . . . 10.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.97 131.65 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.006 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -115.92 106.53 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 10.0 111.041 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 24.66 12.27 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.588 -0.733 . . . . 10.0 112.383 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.98 -15.83 43.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.115 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -93.85 114.33 26.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.25 135.37 50.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD13 HD12 ' B' ' 23' ' ' ILE . 24.6 mt -85.73 131.55 34.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.864 0.364 . . . . 10.0 111.227 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.57 141.08 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.856 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.43 -48.33 68.85 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.424 0.453 . . . . 10.0 111.82 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.6 51.84 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.978 -0.63 . . . . 10.0 113.072 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 54' ' ' ARG . 39.1 mmt-85 -143.53 166.02 25.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.4 p -106.58 177.7 4.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.614 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.51 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.6 mt -76.14 -36.09 58.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.673 0.273 . . . . 10.0 110.621 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -21.7 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.015 0.436 . . . . 10.0 110.332 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -57.79 -31.87 66.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.201 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -111.11 11.72 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.809 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 58.2 47.34 14.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.925 . . . . 10.0 111.899 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -84.99 130.46 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -120.06 -167.62 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 10.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -75.75 154.37 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.301 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.85 21.63 11.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.42 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 m -90.17 157.16 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.872 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.0 m -124.28 139.64 53.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -126.69 156.98 40.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.336 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -102.87 133.15 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.063 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.448 HD23 HG22 ' B' ' 7' ' ' THR . 54.0 tp -114.09 113.0 24.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.383 . . . . 10.0 110.701 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.7 t -95.18 128.17 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.133 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.01 109.96 19.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.357 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -89.7 89.75 7.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.12 0.486 . . . . 10.0 110.468 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 31.3 mt -81.33 150.85 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.959 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.62 -47.72 3.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.778 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.36 88.26 0.46 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.852 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.14 0 CA-C-O 118.291 -1.283 . . . . 10.0 111.611 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 453' ' ' SER . . . . . 0.432 ' HB2' ' OG ' ' C' ' 455' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.353 0.131 . . . . 10.0 111.353 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' C' ' 453' ' ' SER . 19.9 m-20 71.27 7.34 6.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.888 0.475 . . . . 10.0 111.622 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 455' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' C' ' 453' ' ' SER . 1.1 m -70.14 -33.36 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 10.0 111.184 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -101.3 -33.9 9.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.271 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.42 -43.56 93.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.99 -39.3 87.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 10.0 110.561 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.69 95.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.567 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.28 -35.53 81.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.394 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.81 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.957 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.07 -38.99 84.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.066 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.3 tp60 -64.64 -45.03 88.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.107 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 89.7 mt -66.09 -35.66 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.288 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.47 -26.22 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -79.97 -27.49 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.228 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 28.4 mmm -84.89 -32.26 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.366 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.412 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.4 m-85 -119.93 79.38 24.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.656 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.97 44.31 1.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.5 2.133 . . . . 10.0 112.26 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.0 21.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.412 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.2 p -131.25 137.9 31.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.351 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 37.8 Cg_exo -61.81 128.8 25.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.504 2.136 . . . . 10.0 112.086 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -53.6 -44.91 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.433 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -63.49 -25.77 68.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 475' ' ' LEU . 15.7 mt -77.82 -32.74 52.45 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.844 -0.343 . . . . 10.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.5 t -67.53 -40.6 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 10.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.39 -30.75 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.69 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -64.0 -48.8 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.53 -39.95 94.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.358 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.67 -35.01 71.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 111.073 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -85.25 4.61 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.94 -51.11 2.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.021 0.438 . . . . 10.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 66.9 p -89.34 -41.43 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.534 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? 68.11 27.97 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.471 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.7 t -149.07 121.63 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.14 -26.67 41.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.137 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.76 -29.93 67.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 23.1 mt -88.17 -39.83 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.432 ' O ' HG13 ' C' ' 493' ' ' ILE . 39.5 m -54.7 -51.71 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 10.0 111.729 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 4.6 p -63.85 -39.45 94.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.12 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 74' ' ' ARG . 27.5 t0 -62.91 -48.64 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.732 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -55.19 -47.91 74.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.432 HG13 ' O ' ' C' ' 489' ' ' THR . 74.6 mt -61.83 -43.76 97.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.866 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -37.46 85.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.587 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 32.0 mm-40 -73.64 -30.16 62.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.453 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 113.3 18.3 7.24 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.09 -39.76 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.554 -0.535 . . . . 10.0 109.554 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.32 127.6 49.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.76 128.47 35.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.104 0.478 . . . . 10.0 111.178 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.5 m -79.13 161.99 66.0 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.355 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -64.8 98.49 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.518 2.145 . . . . 10.0 112.234 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -100.9 130.01 26.11 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.872 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.91 118.9 5.66 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.208 2.605 . . . . 10.0 112.68 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.15 -0.929 . . . . 10.0 109.684 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.604 0.24 . . . . 10.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -99.92 144.59 28.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.916 0.389 . . . . 10.0 111.319 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.1 pt -131.03 167.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.04 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 66.0 m-85 -125.11 121.89 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.701 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.84 116.79 53.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.743 0.306 . . . . 10.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -87.58 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 10.0 110.438 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.487 HG23 HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -106.76 160.26 15.61 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.565 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.4 -16.6 48.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.103 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -78.35 -7.19 56.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.813 0.34 . . . . 10.0 111.451 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 20.64 54.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.643 -0.789 . . . . 10.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -114.94 147.53 39.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -109.28 114.77 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.091 0.472 . . . . 10.0 110.321 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -90.43 117.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 127.73 35.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.855 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.41 155.13 50.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 10.0 111.214 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -104.06 120.23 40.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.22 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 m -135.5 167.32 25.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.828 0.347 . . . . 10.0 111.087 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.2 mm-40 -120.09 158.68 49.8 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.533 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -36.83 97.57 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 122.251 1.968 . . . . 10.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -86.31 5.58 33.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.793 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.6 t0 -68.16 149.62 49.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 10.0 110.54 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 m -100.14 142.31 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.591 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -52.05 -44.54 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.293 0.371 . . . . 10.0 111.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.44 -44.48 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 10.0 110.557 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.35 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.074 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 94.1 t -62.24 -42.58 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.893 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' OD2' ' A' ' 52' ' ' ASP . 28.2 mtmt -66.07 -34.05 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.273 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.71 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.945 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -66.37 -33.42 75.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.838 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -74.12 -30.11 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 37.5 tt0 -70.18 -32.34 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.239 -0.892 . . . . 10.0 110.095 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.37 -32.78 58.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -87.83 -55.69 3.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -87.19 -41.6 13.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.664 0.268 . . . . 10.0 111.657 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 102.57 1.12 49.94 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.059 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -68.11 126.72 92.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.16 134.88 55.05 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.411 2.074 . . . . 10.0 111.946 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.85 -18.29 26.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.739 2.293 . . . . 10.0 112.763 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -28.09 63.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.109 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.88 15.39 24.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.629 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -101.78 111.82 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.412 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -111.43 109.88 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 mt -93.96 114.55 26.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.005 0.431 . . . . 10.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.48 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.34 135.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.994 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.1 t80 -129.41 114.78 16.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.26 30.97 17.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.571 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.44 26.57 35.56 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.714 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 34.4 mtmt -138.99 136.77 35.71 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.552 -0.381 . . . . 10.0 110.659 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.24 125.1 29.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.9 mt -84.69 147.02 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.86 145.84 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.815 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -60.87 -44.64 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.899 -178.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.38 53.22 4.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.978 -0.629 . . . . 10.0 113.434 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -141.98 160.95 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 62.2 p -104.28 172.35 6.85 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.2 mt -66.78 -29.16 69.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.329 0.585 . . . . 10.0 110.049 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -15.96 62.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.334 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -71.99 -26.14 62.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 10.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -118.62 16.69 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.423 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 58.81 34.98 24.06 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.597 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.55 120.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.957 0.408 . . . . 10.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -108.61 -162.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -76.6 152.01 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.28 18.99 11.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.113 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 m -77.58 136.14 38.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.586 0.232 . . . . 10.0 110.513 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.5 m -93.38 113.1 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.976 0.417 . . . . 10.0 111.234 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 146.28 26.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' C' ' 467' ' ' MET . 16.3 m80 -104.01 123.93 48.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.681 0.277 . . . . 10.0 110.481 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 HG23 ' A' ' 7' ' ' THR . 39.7 tp -98.35 104.39 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.14 0.495 . . . . 10.0 110.403 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.48 131.72 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.87 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.68 157.33 18.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.86 156.47 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.25 177.48 7.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.68 100.78 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 10.0 110.759 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.08 -133.84 3.05 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.867 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.7 -1.056 . . . . 10.0 112.32 -179.777 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.492 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.801 0.334 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -98.1 136.59 38.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -125.08 162.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.9 m-85 -119.16 113.35 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.002 0.43 . . . . 10.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.26 119.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -103.02 129.28 49.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.126 0.489 . . . . 10.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -91.18 170.86 9.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.665 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.53 -19.22 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.323 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.31 -8.21 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.888 0.375 . . . . 10.0 110.853 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.36 -7.39 63.93 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.021 -0.609 . . . . 10.0 112.686 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -72.95 119.95 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 10.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.31 111.43 23.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.119 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.59 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.045 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -100.0 137.96 37.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.966 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -132.78 148.6 52.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.005 0.431 . . . . 10.0 111.298 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -93.84 112.79 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.402 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' B' ' 1' ' ' MET . 23.2 m -138.52 179.75 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.925 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -139.63 158.46 68.12 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.84 -28.66 68.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.103 1.869 . . . . 10.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 9.51 28.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.777 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -79.2 157.13 27.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.847 0.356 . . . . 10.0 110.24 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 146.24 27.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.498 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.4 -41.22 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 10.0 110.401 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.91 -42.24 89.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.81 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.0 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 3.2 mmmm -60.93 -40.67 94.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.992 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.88 76.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.661 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.37 -37.77 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.327 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.18 -35.44 63.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.588 0.708 . . . . 10.0 109.306 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 32.7 tt0 -70.26 -21.69 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.044 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.32 -39.61 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.906 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -77.49 -60.12 2.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.489 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.93 -51.71 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 10.0 111.179 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 115.54 -4.82 21.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 10.0 112.162 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.45 127.16 86.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.511 -0.181 . . . . 10.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.89 133.92 61.15 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.319 2.013 . . . . 10.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.49 -23.35 74.97 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.599 2.2 . . . . 10.0 111.643 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 -25.75 67.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.215 -0.902 . . . . 10.0 111.066 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -111.13 12.69 21.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.797 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.45 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 65.5 mt-30 -96.83 106.36 18.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.115 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -110.79 99.47 8.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.63 125.52 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.103 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -122.25 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.666 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 72.9 t80 -123.1 115.42 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.291 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.77 20.02 10.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.701 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.55 -10.92 56.44 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -97.26 130.4 44.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.604 0.24 . . . . 10.0 110.62 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -76.83 137.22 39.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -93.59 122.84 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.886 0.374 . . . . 10.0 111.569 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.708 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.84 -37.19 65.86 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.069 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.04 35.14 2.76 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.281 -0.485 . . . . 10.0 112.892 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -135.35 163.38 30.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -104.99 168.69 8.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.541 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -66.2 -30.72 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.531 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -73.23 -21.55 60.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.19 -34.62 78.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 10.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.09 9.55 32.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.492 . . . . 10.0 111.075 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.79 40.0 10.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.502 0.501 . . . . 10.0 111.037 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -85.36 102.81 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.502 ' HB2' ' NH2' ' C' ' 484' ' ' ARG . 73.1 mt-30 -93.02 176.33 6.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 8.7 pttt -71.05 164.16 26.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 67.35 2.49 2.88 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.302 0.641 . . . . 10.0 112.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -84.47 148.9 26.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.3 m -99.36 133.42 43.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.422 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.34 143.04 45.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.747 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.15 131.45 45.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.773 0.321 . . . . 10.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.16 106.3 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.274 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.13 132.77 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.497 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.3 mt -100.61 118.68 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.239 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 72' ' ' ARG . 18.5 ttt180 -114.96 117.46 30.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 10.0 110.664 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.53 -174.43 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.728 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -131.78 32.71 4.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 10.0 110.485 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.51 116.47 4.86 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.321 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.194 -1.337 . . . . 10.0 111.506 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.851 0.358 . . . . 10.0 110.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 62.5 21.03 12.35 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.441 -0.8 . . . . 10.0 111.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -45.8 91.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.796 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -64.69 -38.29 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.482 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.42 -41.62 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.88 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.94 -39.67 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.232 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.35 -40.38 89.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.52 -26.07 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.533 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -77.74 -40.99 39.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.03 -34.05 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.275 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.6 -25.61 68.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.64 -27.96 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 10.0 110.246 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.489 ' HA ' ' CG ' ' A' ' 68' ' ' HIS . 45.0 mtm -82.1 -48.83 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.267 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 16.5 m-85 -115.48 91.63 29.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.715 0.293 . . . . 10.0 110.683 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.61 40.18 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.792 2.328 . . . . 10.0 113.196 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.36 14.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.789 0.328 . . . . 10.0 111.465 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.1 p -116.85 130.89 24.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 120.994 -0.283 . . . . 10.0 110.814 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 129.41 34.69 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.671 2.247 . . . . 10.0 111.909 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.48 -42.96 79.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.215 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -62.71 -26.76 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.595 0.22 . . . . 10.0 111.595 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' C' ' 475' ' ' LEU . 16.6 mt -76.16 -39.14 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 10.0 110.005 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.43 -45.8 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.919 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 7.5 mt -63.78 -27.49 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.893 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -68.33 -51.88 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.103 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.11 -33.97 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.718 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -30.19 64.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.363 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 45.6 mt-30 -83.34 -12.06 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.019 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.87 -48.76 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.739 -0.209 . . . . 10.0 111.498 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 16.5 p -83.56 -36.01 24.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.502 ' NH2' ' HB2' ' B' ' 62' ' ' GLN . 5.1 mpt_? 62.94 27.79 16.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.104 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -161.12 124.39 3.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.689 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.56 -28.98 45.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.746 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.635 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 9.7 mt -92.73 -40.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.894 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 37.9 m -53.54 -56.02 20.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.026 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -31.65 72.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.442 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -67.27 -40.44 86.19 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -58.43 -43.57 88.77 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.228 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.88 -46.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.432 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -30.76 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.462 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.3 -50.84 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 10.0 110.479 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.83 38.94 0.28 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.62 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -96.94 -26.67 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.771 0.32 . . . . 10.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.84 132.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 10.0 109.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -66.98 120.73 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.75 156.44 89.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.374 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.65 92.71 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.67 2.247 . . . . 10.0 112.117 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -97.99 127.42 37.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.978 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.12 97.44 0.58 Allowed 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.655 2.237 . . . . 10.0 112.371 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.013 -0.994 . . . . 10.0 109.526 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.4 ptt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -105.0 133.49 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.448 . . . . 10.0 111.554 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.67 158.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.705 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -120.57 130.65 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.773 0.32 . . . . 10.0 110.773 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.41 133.48 59.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -104.79 140.52 37.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 21.8 p -114.19 161.7 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.086 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -72.09 -4.47 29.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.392 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.38 39.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.953 0.406 . . . . 10.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.07 43.52 16.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.401 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -128.47 123.54 33.89 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -87.09 128.85 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.521 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.0 mt -113.84 127.27 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -96.39 127.72 42.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.935 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.94 140.14 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 10.0 111.624 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -102.8 107.49 18.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.004 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 1' ' ' MET . 26.6 m -139.08 168.07 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.61 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -113.24 156.13 43.49 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.95 -26.02 56.28 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.816 2.344 . . . . 10.0 113.139 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 13.76 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.908 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -86.68 149.23 25.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.23 144.88 27.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.674 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 HG23 HD12 ' A' ' 43' ' ' LEU . 46.8 mm -55.85 -43.89 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.203 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -34.27 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 10.0 110.681 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -70.88 -22.6 62.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.095 0.474 . . . . 10.0 110.466 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' THR . 94.0 t -77.03 -42.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.059 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.71 82.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.084 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.45 -34.38 75.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.68 -34.76 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.87 -36.09 82.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.964 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.42 -34.49 74.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -85.87 -50.92 6.74 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -93.29 -25.48 17.74 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.2 22.63 51.34 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.312 -0.946 . . . . 10.0 112.233 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -98.7 127.83 34.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.325 -0.25 . . . . 10.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.52 128.1 27.08 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.521 2.147 . . . . 10.0 112.153 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.97 -18.88 29.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.298 2.665 . . . . 10.0 112.814 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.524 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.38 15.66 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 10.0 110.801 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.64 121.94 44.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.044 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -116.51 131.11 57.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 HG23 ' A' ' 23' ' ' ILE . 22.0 mt -106.66 116.11 31.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.147 0.499 . . . . 10.0 110.318 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.69 133.96 55.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -125.76 109.46 12.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.16 24.69 14.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.428 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.75 -7.27 60.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.819 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -100.02 131.29 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.735 -0.274 . . . . 10.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 130.46 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.64 144.32 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.744 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.7 mt-10 -87.75 143.9 26.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -63.75 -36.0 82.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 31.57 4.12 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.824 -0.703 . . . . 10.0 113.658 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 28.8 mmt180 -123.83 166.79 15.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.95 0.375 . . . . 10.0 110.218 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 24.1 p -107.27 172.53 6.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.783 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.32 -31.31 71.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.171 0.51 . . . . 10.0 110.127 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -21.09 65.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.166 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -63.45 -37.18 86.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -111.08 13.96 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.558 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.55 39.54 24.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.624 -0.717 . . . . 10.0 111.834 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -81.96 112.05 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -103.83 -166.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -71.61 161.33 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.385 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 64.02 15.9 9.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.792 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -89.79 147.33 23.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.84 0.352 . . . . 10.0 110.775 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -107.54 126.9 53.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.814 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.63 141.62 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -99.17 117.13 32.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.639 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 41.6 tp -94.05 100.81 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 10.0 110.192 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -94.47 132.66 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.9 mt -101.56 147.73 26.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.849 0.357 . . . . 10.0 110.365 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.31 141.27 51.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD12 ' CG1' ' C' ' 488' ' ' ILE . 6.5 mt -87.11 148.12 25.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.288 0.566 . . . . 10.0 112.076 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -126.17 52.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.172 -0.922 . . . . 10.0 108.957 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.17 -99.2 2.54 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.854 0 CA-C-O 118.507 -1.163 . . . . 10.0 113.017 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -111.47 136.09 51.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.791 0.329 . . . . 10.0 111.298 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.17 165.45 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.593 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 66' ' ' THR . 55.2 m-85 -124.15 119.67 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.713 0.292 . . . . 10.0 110.955 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.27 121.36 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -106.2 125.91 51.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.994 0.426 . . . . 10.0 110.947 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -80.87 168.6 18.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.061 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.01 -20.49 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 10.0 110.815 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -19.56 43.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.329 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.29 8.56 30.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.494 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -80.39 122.59 27.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -99.06 114.99 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 10.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.12 128.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.788 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -93.77 123.51 37.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.7 mt -125.62 151.4 46.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 10.0 111.625 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.4 114.64 28.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.347 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -144.93 146.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.194 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -100.47 156.63 35.0 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -53.38 -29.32 47.7 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 122.697 2.265 . . . . 10.0 113.219 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -85.84 9.11 17.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.891 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -86.86 134.06 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.855 0.36 . . . . 10.0 110.357 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.28 148.43 32.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -56.52 -38.14 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.01 -41.32 78.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.799 0.333 . . . . 10.0 110.652 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.23 -36.71 82.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 10.0 110.141 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.4 t -64.31 -40.26 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.786 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -40.48 92.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.102 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.73 89.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.6 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.42 -39.07 93.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.329 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.3 mt -70.96 -40.49 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.167 0.508 . . . . 10.0 110.015 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.73 -38.91 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.156 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -0.81 16.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 10.0 112.01 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -123.28 -49.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.956 -0.298 . . . . 10.0 111.766 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.57 -10.65 45.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.2 74.35 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.107 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 123.94 37.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.335 -0.246 . . . . 10.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 35.1 Cg_exo -57.98 138.75 87.57 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.472 2.114 . . . . 10.0 111.838 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -57.81 -21.24 47.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.087 2.525 . . . . 10.0 112.903 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -27.43 68.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.497 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.89 17.25 20.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.918 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -99.75 91.49 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.138 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 71.3 mtt180 -92.26 93.02 8.44 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.2 mt -85.23 114.72 22.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.492 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -120.58 129.18 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.317 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.439 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.8 t80 -120.82 116.76 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.346 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.25 24.54 13.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.729 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.81 70.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.727 -0.749 . . . . 10.0 112.844 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.458 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 47.2 mtmt -97.73 118.73 34.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.26 125.11 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.5 mt -86.21 120.25 27.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.269 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.88 148.99 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.293 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.17 44.24 3.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.808 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.403 ' O ' HG12 ' B' ' 23' ' ' ILE . 17.9 mmt180 -142.06 153.88 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.0 p -101.55 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.253 -0.276 . . . . 10.0 110.253 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 58.5 mt -72.49 -33.46 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.129 0.49 . . . . 10.0 110.261 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -23.6 64.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.948 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.34 -33.61 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.427 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -108.22 9.83 27.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.291 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 62.18 37.32 14.42 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.716 0.635 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 123.52 31.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.34 -167.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 10.0 111.459 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -73.55 147.28 44.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.283 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 68.08 17.08 9.49 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.702 -0.681 . . . . 10.0 112.066 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -68.86 131.11 44.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 10.0 110.212 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -98.29 123.87 42.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.33 138.49 40.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.431 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -95.0 127.61 41.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.0 107.61 18.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 10.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 11.3 t -103.74 143.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.157 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.7 mt -104.97 165.08 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.362 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -148.29 138.1 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.866 0.365 . . . . 10.0 110.56 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.2 mt -128.51 151.39 49.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.707 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -155.67 85.77 1.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.815 0.341 . . . . 10.0 110.634 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.28 24.25 73.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.996 -0.621 . . . . 10.0 111.939 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.033 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 -179.379 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.478 0.18 . . . . 10.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.522 ' O ' ' HB2' ' C' ' 458' ' ' ASN . 2.9 m-20 70.74 25.5 4.01 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.141 0.576 . . . . 10.0 110.526 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -40.11 53.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -90.35 -34.81 15.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.757 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.74 -42.98 98.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 458' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' C' ' 454' ' ' ASN . 7.5 t-20 -63.25 -42.65 99.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.429 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 52.2 mtm -64.24 -40.39 95.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.9 96.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.85 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.53 -41.29 89.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.382 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.8 tp60 -64.04 -38.93 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.07 -36.65 76.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.508 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -61.7 -27.73 68.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 10.0 109.986 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.59 -26.55 45.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.532 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 53.8 mmm -86.9 -37.91 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.028 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.78 86.17 23.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 469' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' C' ' 467' ' ' MET . 5.7 Cg_exo -78.22 49.51 3.04 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.047 2.498 . . . . 10.0 112.593 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -165.11 35.87 0.06 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.058 0.456 . . . . 10.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.1 p -141.09 134.11 14.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.3 Cg_exo -60.12 124.35 15.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 10.0 112.002 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -55.66 -39.15 70.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.628 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -62.81 -30.27 71.35 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.975 -0.29 . . . . 10.0 111.401 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 47.5 mt -75.41 -34.14 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.12 -40.86 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 93.6 mt -63.83 -31.53 72.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.304 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -65.1 -49.87 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 10.0 111.046 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.71 -38.1 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -31.72 67.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.599 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 72.7 mt-30 -78.41 -7.17 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.763 0.316 . . . . 10.0 111.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.0 mm? -112.68 -50.12 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.768 0.318 . . . . 10.0 111.296 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.0 p -83.26 -45.05 14.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.891 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 67.05 26.5 8.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.635 0.584 . . . . 10.0 111.19 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.4 t -149.62 128.85 12.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.051 0.453 . . . . 10.0 111.013 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.67 -25.82 38.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.832 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.32 -6.15 48.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.092 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.428 ' CG1' HD12 ' A' ' 73' ' ' LEU . 31.3 mt -113.47 -38.93 2.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -62.74 -56.48 17.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -31.3 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.082 0.468 . . . . 10.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.5 -53.59 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.37 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -49.77 -41.12 43.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.961 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.82 -44.18 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.619 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -29.55 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 10.0 110.573 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.04 -39.79 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.099 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.44 28.53 2.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.718 -0.753 . . . . 10.0 112.895 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -76.59 -37.42 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 10.0 110.016 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.55 127.68 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.546 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -64.9 125.21 24.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.155 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 23.4 m -83.4 161.67 56.11 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.861 -0.608 . . . . 10.0 109.901 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.98 90.32 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.441 2.094 . . . . 10.0 112.375 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -87.99 127.88 56.0 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.236 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.89 119.06 6.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.567 2.178 . . . . 10.0 112.072 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.086 -0.959 . . . . 10.0 109.364 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -103.48 133.09 49.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.248 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -121.81 160.88 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.919 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.0 m-85 -113.05 126.22 55.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.804 0.335 . . . . 10.0 110.749 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.61 118.93 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.829 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -97.21 127.13 42.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.089 0.471 . . . . 10.0 110.521 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.56 156.7 17.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.382 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -65.39 -6.83 11.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.14 10.99 37.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.029 0.442 . . . . 10.0 111.081 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 19.18 78.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 10.0 111.693 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.86 143.37 26.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.578 -0.311 . . . . 10.0 110.687 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -127.9 104.25 7.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.179 0.514 . . . . 10.0 110.234 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.3 135.02 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.159 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -110.22 118.1 35.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.62 152.36 39.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 111.806 -178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -92.17 118.36 30.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.337 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.09 -176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.836 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.1 mm-40 -146.74 157.29 47.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 51.7 Cg_exo -53.48 -33.19 66.46 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.342 2.028 . . . . 10.0 112.531 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.82 53.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.013 -0.54 . . . . 10.0 112.202 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.09 136.19 35.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.379 . . . . 10.0 110.574 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.54 149.27 31.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.805 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 54' ' ' ARG . 51.3 mm -56.77 -33.76 41.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.19 0.519 . . . . 10.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.99 -44.28 94.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.392 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.36 -37.21 86.4 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.412 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 30' ' ' ILE . 61.1 t -59.97 -46.42 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.323 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -63.76 -34.34 77.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.26 93.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -35.67 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.099 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 26' ' ' VAL . 70.8 mt -66.6 -36.29 76.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.35 -31.72 69.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.233 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.63 -42.27 95.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -78.97 -66.01 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.387 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -70.2 -61.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.31 1.3 14.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.045 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.64 122.84 86.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.1 Cg_exo -59.5 148.94 84.89 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 111.897 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.45 -20.17 39.37 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.765 2.31 . . . . 10.0 112.623 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.42 -18.56 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.149 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -117.79 13.29 14.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.419 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -107.3 96.93 6.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.674 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.8 103.74 13.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.422 -0.955 . . . . 10.0 108.422 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 44' ' ' ILE . 24.8 mt -83.79 136.0 34.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.121 0.486 . . . . 10.0 111.665 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.5 mp -131.25 141.59 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 10.0 109.794 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -139.48 123.52 17.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.27 22.32 12.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.698 0.623 . . . . 10.0 112.093 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.05 17.15 44.69 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.657 -0.783 . . . . 10.0 113.692 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -138.83 153.61 48.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.211 0.506 . . . . 10.0 110.647 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.6 OUTLIER -81.92 153.22 26.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.136 0.494 . . . . 10.0 111.781 -179.27 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -107.7 147.67 30.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.042 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.2 mt-10 -94.93 143.91 26.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.69 0.281 . . . . 10.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -38.15 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.519 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.59 16.06 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.965 -0.636 . . . . 10.0 113.979 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 37.0 mmt180 -115.07 161.68 18.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.993 0.397 . . . . 10.0 110.043 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 p -106.71 166.4 10.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.505 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 85.0 mt -66.45 -28.62 68.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.941 0.4 . . . . 10.0 110.617 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -21.11 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.177 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -62.9 -49.69 73.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 10.0 110.999 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -90.53 13.26 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.384 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 59.08 40.49 21.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.695 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.19 115.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.096 0.474 . . . . 10.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -102.79 -162.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.982 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 36.1 pttt -79.09 160.37 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 38.2 mt-10 73.2 -7.83 1.44 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.175 0.59 . . . . 10.0 111.752 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -64.46 138.77 58.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 10.0 111.11 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.1 m -105.2 117.34 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.497 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.59 149.39 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.622 . . . . 10.0 110.259 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.498 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 33.5 m80 -103.26 136.2 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.335 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 tp -115.29 109.45 17.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' C' ' 490' ' ' THR . 50.9 t -90.81 129.24 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.792 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.45 137.36 32.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.888 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' C' ' 491' ' ' ASP . 3.6 ttm180 -131.72 108.75 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 10.0 110.619 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD11 HG12 ' C' ' 488' ' ' ILE . 0.8 OUTLIER -73.14 -178.68 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.628 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.16 18.6 3.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.303 0.573 . . . . 10.0 110.177 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.81 87.1 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.469 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.854 0 CA-C-O 119.093 -0.837 . . . . 10.0 111.379 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -106.95 126.32 52.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.782 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.8 pt -114.37 160.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.968 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.02 118.87 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 111.139 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.08 127.18 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.751 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.11 127.29 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.057 0.456 . . . . 10.0 110.683 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -94.13 164.47 13.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.504 HD11 HG13 ' B' ' 70' ' ' VAL . 95.6 mt -62.47 -23.42 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.4 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -22.03 57.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 10.0 110.936 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 29.92 6.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.659 -0.781 . . . . 10.0 112.54 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.44 132.4 50.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.55 107.08 19.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.833 0.349 . . . . 10.0 110.479 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -98.75 124.99 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.689 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -96.08 127.77 42.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.444 HD11 HG12 ' B' ' 30' ' ' ILE . 76.4 mt -126.48 135.31 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.736 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.72 106.37 18.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.58 175.39 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.843 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -124.62 152.81 69.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.969 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.67 -25.55 68.47 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.473 2.116 . . . . 10.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -85.29 -1.76 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.932 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.13 155.69 30.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.713 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -94.24 148.45 22.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.915 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.19 -38.31 60.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.01 0.433 . . . . 10.0 110.382 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.32 -42.77 82.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.703 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -71.81 -31.33 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.198 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 22' ' ' THR . 84.6 t -61.25 -50.99 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.318 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -70.08 -24.27 63.2 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.742 0.306 . . . . 10.0 110.761 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.44 83.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 10.0 109.716 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.94 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.444 HG12 HD11 ' B' ' 15' ' ' LEU . 61.9 mt -71.47 -34.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.36 -39.62 92.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.854 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -83.43 -60.34 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.16 -20.33 30.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.93 24.05 56.18 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.435 -0.888 . . . . 10.0 112.779 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -100.31 123.36 46.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 122.845 -0.209 . . . . 10.0 110.549 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.9 Cg_exo -56.85 131.24 44.32 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.456 2.104 . . . . 10.0 111.639 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -58.9 -21.4 57.45 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.593 2.195 . . . . 10.0 112.589 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -17.44 61.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.223 0.535 . . . . 10.0 110.397 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.6 12.83 21.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.886 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -104.98 118.77 37.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.07 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.416 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 7.2 ttt180 -112.09 99.64 8.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -93.3 124.54 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.449 . . . . 10.0 110.952 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.42 134.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.6 t80 -132.53 121.28 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.266 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.65 21.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.921 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.28 90.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.465 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.419 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 33.6 mtmt -106.62 130.46 54.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -77.43 135.8 38.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.1 mt -90.68 124.21 34.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.973 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -88.84 136.19 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.256 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.97 -39.89 66.38 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.94 16.55 11.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.978 -0.63 . . . . 10.0 114.445 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -121.26 165.26 15.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.808 0.804 . . . . 10.0 110.341 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 71.8 p -97.95 173.99 6.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -69.45 -40.13 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.449 . . . . 10.0 109.958 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 38.9 m -66.49 -20.13 65.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.977 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.4 OUTLIER -57.16 -40.16 76.71 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.936 0.398 . . . . 10.0 110.789 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -104.81 17.07 24.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.699 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 63.54 29.01 15.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.667 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -76.48 119.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.381 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -124.19 -155.81 0.68 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.516 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.04 157.29 37.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.592 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 65.18 17.11 10.9 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.923 -0.581 . . . . 10.0 112.423 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.2 m -85.56 135.99 33.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.983 0.42 . . . . 10.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -104.31 123.45 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.004 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -109.34 134.18 52.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.889 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -96.72 132.76 42.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -116.89 112.56 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.193 0.521 . . . . 10.0 111.557 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD11 ' B' ' 8' ' ' LEU . 99.4 t -97.28 129.68 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.786 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.34 151.74 34.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.071 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -127.28 88.22 2.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 mt -80.87 127.97 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.027 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -115.7 -55.09 2.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.204 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.11 101.82 0.25 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.268 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 119.094 -0.837 . . . . 10.0 111.274 179.422 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.415 0.15 . . . . 10.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.6 31.46 21.11 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.693 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.4 m -64.13 -42.99 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.558 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -66.65 -36.15 81.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.9 -41.9 86.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 458' ' ' ASN . . . . . 0.511 ' HA ' HD21 ' C' ' 477' ' ' LEU . 15.5 t-20 -64.19 -44.05 93.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.22 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.916 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.2 mtm -65.9 -39.11 90.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.422 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.17 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.537 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' C' ' 466' ' ' GLU . 13.1 t60 -61.58 -44.5 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.263 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -38.01 85.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.425 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.421 HG23 HG23 ' C' ' 490' ' ' THR . 61.1 mt -70.24 -36.31 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.492 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -65.17 -27.64 68.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.064 0.459 . . . . 10.0 110.249 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 462' ' ' HIS . 42.2 mt-10 -72.44 -21.66 61.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.398 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 1.3 mtm -97.88 -42.07 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 12.1 m-85 -118.99 93.28 46.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.24 12.42 3.02 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.646 2.231 . . . . 10.0 112.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.31 8.79 27.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.254 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 130.3 24.41 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.418 ' O ' HG23 ' C' ' 476' ' ' VAL . 53.1 Cg_exo -56.84 132.32 51.0 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.877 2.384 . . . . 10.0 112.853 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.41 -42.86 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -65.47 -25.11 67.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.432 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.08 -35.75 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 472' ' ' PRO . 39.7 t -65.64 -42.04 91.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' C' ' 458' ' ' ASN . 17.3 mt -60.32 -30.72 69.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.801 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -60.82 -46.23 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.467 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.522 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.6 t70 -67.62 -40.76 84.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.26 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' C' ' 480' ' ' LEU . 2.3 mm? -59.48 -31.08 69.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.418 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -76.76 -6.92 54.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.737 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -116.54 -54.28 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.644 0.259 . . . . 10.0 111.601 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 483' ' ' THR . . . . . 0.441 ' HB ' HD12 ' C' ' 488' ' ' ILE . 82.2 p -82.79 -39.94 21.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.738 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 63.61 33.72 13.03 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.525 0.515 . . . . 10.0 110.94 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 29.2 t -155.16 129.04 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.324 . . . . 10.0 111.113 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.72 -18.47 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.402 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.46 -18.3 61.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 10.0 110.545 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.441 HD12 ' HB ' ' C' ' 483' ' ' THR . 10.8 mt -106.84 -42.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.773 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.522 HG23 ' HB3' ' C' ' 479' ' ' ASP . 59.3 m -56.85 -58.87 6.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.464 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.11 -35.22 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.534 -179.025 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 4.2 t70 -71.17 -40.37 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -57.75 -40.63 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.284 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.84 -41.25 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.484 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.447 HD22 ' HG3' ' A' ' 49' ' ' GLN . 29.7 mt -67.2 -44.27 80.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.596 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -71.01 -30.11 66.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 107.28 45.51 1.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.513 -0.851 . . . . 10.0 113.549 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -86.26 -33.31 20.73 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.55 137.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.855 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -66.66 135.67 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 10.0 111.052 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 13.4 m -95.73 155.1 38.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.11 104.05 0.69 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.422 2.081 . . . . 10.0 111.968 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -122.65 135.03 25.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.55 128.7 28.09 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.569 2.179 . . . . 10.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.303 -0.856 . . . . 10.0 109.395 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.785 0.326 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.46 131.9 54.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.855 0.36 . . . . 10.0 111.042 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -123.2 162.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 132.29 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 10.0 111.085 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -116.89 121.17 67.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.76 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -102.16 135.37 43.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.994 0.426 . . . . 10.0 110.672 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -103.5 172.29 6.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.049 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.3 -16.37 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.366 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -7.07 58.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 10.0 111.243 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.76 10.23 65.26 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.825 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.857 0.361 . . . . 10.0 110.322 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -104.58 126.36 51.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.197 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.05 156.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 122.38 46.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.525 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.9 mt -115.72 136.49 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.206 0.527 . . . . 10.0 112.189 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.09 108.95 20.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.089 -0.959 . . . . 10.0 108.992 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -138.08 -178.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.678 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -139.23 158.04 69.87 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -30.08 74.03 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.176 1.917 . . . . 10.0 112.679 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -1.46 55.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 10.0 112.094 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.77 147.66 39.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.812 0.339 . . . . 10.0 110.674 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 p -93.84 150.19 20.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.236 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -58.92 -37.31 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.17 -42.92 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.171 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.09 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 10.0 110.162 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 22' ' ' THR . 58.3 t -62.35 -42.14 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.219 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.14 -35.66 81.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.565 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.54 78.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.329 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.31 -32.78 73.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.239 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.95 -34.18 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.248 0.546 . . . . 10.0 109.576 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.96 -26.83 63.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.836 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.81 -26.45 49.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -94.96 -57.23 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -88.71 -43.87 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.856 0.36 . . . . 10.0 111.22 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.38 34.09 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.465 -0.874 . . . . 10.0 112.053 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.31 124.5 85.85 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.185 . . . . 10.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -59.64 131.98 43.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.517 2.145 . . . . 10.0 111.965 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.5 Cg_exo -56.92 -20.61 37.15 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.126 2.55 . . . . 10.0 112.655 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -32.86 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.328 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 18.27 19.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.796 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -96.26 107.45 19.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -111.17 103.13 11.53 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.18 112.23 21.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.003 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -102.33 133.68 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.577 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 50' ' ' LEU . 47.9 t80 -133.85 121.9 22.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.415 -0.811 . . . . 10.0 108.886 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.43 12.59 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.537 0.523 . . . . 10.0 111.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.38 10.69 59.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.525 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -134.53 151.95 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.103 0.452 . . . . 10.0 110.459 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -83.26 145.46 29.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.181 0.515 . . . . 10.0 112.002 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.1 mt -95.33 148.23 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.837 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.4 mt-10 -93.22 145.08 24.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.861 0.363 . . . . 10.0 110.866 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -38.46 87.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.436 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.02 37.05 3.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.016 -0.611 . . . . 10.0 113.425 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 54.6 mmm-85 -132.59 160.77 35.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.964 0.382 . . . . 10.0 110.05 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.4 p -102.56 163.5 12.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.209 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 18' ' ' GLU . 67.7 mt -64.75 -32.98 74.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.769 0.318 . . . . 10.0 111.079 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 m -67.0 -21.6 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.141 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 15.7 m-20 -66.49 -25.39 66.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.115 0.484 . . . . 10.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.94 8.73 20.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.445 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.5 t30 60.46 31.3 20.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.12 116.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.054 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.81 -165.76 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.23 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 42.1 pttt -71.81 153.52 41.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.184 -0.302 . . . . 10.0 110.184 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 35.9 mt-10 73.32 -3.67 2.4 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.202 0.601 . . . . 10.0 112.573 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -63.24 141.16 58.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 10.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -106.87 116.45 31.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.034 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.98 142.64 32.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.713 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -103.48 127.13 50.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.647 -0.252 . . . . 10.0 110.376 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.45 116.07 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 10.0 111.135 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.9 t -109.28 147.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.031 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.59 -171.63 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 10.0 110.801 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 17.2 ttt180 -161.51 136.37 7.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mp -141.22 87.19 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.131 0.491 . . . . 10.0 110.526 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -105.89 64.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 10.0 110.26 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.81 -104.85 0.4 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.101 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.477 -1.18 . . . . 10.0 111.77 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.7 ptt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -90.62 133.76 34.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.009 0.433 . . . . 10.0 111.196 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -120.56 159.24 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.889 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 84.4 m-85 -115.91 106.94 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.989 0.423 . . . . 10.0 110.883 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.91 116.21 37.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.536 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.5 126.74 50.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.101 0.477 . . . . 10.0 111.192 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -95.11 164.73 12.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.405 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.95 -8.41 29.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.392 . . . . 10.0 111.218 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -1.77 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.018 0.437 . . . . 10.0 110.68 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.58 13.16 73.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.661 -0.78 . . . . 10.0 112.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -94.32 133.3 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.352 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -106.79 113.38 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.094 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.64 135.0 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 138.2 41.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -143.61 147.21 34.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 10.0 111.404 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -97.8 104.29 16.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.031 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -136.83 160.82 36.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.323 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.433 ' O ' HD12 ' B' ' 56' ' ' LEU . 16.0 mm-40 -115.3 158.9 40.11 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.09 -23.51 53.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 113.377 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.53 5.91 29.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.869 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.91 145.83 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -86.98 147.3 25.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.436 HD12 HD13 ' B' ' 50' ' ' LEU . 45.3 mm -54.9 -40.66 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 10.0 110.751 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.61 -44.27 93.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.53 -38.39 87.06 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.24 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.7 t -60.64 -44.95 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.752 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 46.1 mtmt -65.36 -34.21 77.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.538 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.69 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.085 0.469 . . . . 10.0 109.913 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.31 -32.74 61.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.608 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 26' ' ' VAL . 65.8 mt -70.74 -36.88 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -63.03 -31.81 73.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.127 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.78 -35.46 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.172 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -85.39 -58.03 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.09 -39.28 50.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.31 -6.91 56.16 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.655 -0.783 . . . . 10.0 112.038 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.19 125.96 84.24 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.169 . . . . 10.0 110.618 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.4 Cg_exo -55.43 147.52 56.97 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.944 2.429 . . . . 10.0 112.559 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 22.9 Cg_exo -63.39 -19.31 67.85 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.944 2.429 . . . . 10.0 112.294 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -35.53 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.578 . . . . 10.0 110.113 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -91.26 1.83 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.13 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.424 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 71.4 mt-30 -96.11 113.97 25.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -114.76 100.54 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.0 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.1 mt -90.33 134.05 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.554 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.12 133.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -123.07 110.99 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.873 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.77 6.16 2.58 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.782 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.58 -15.22 9.17 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.709 -0.758 . . . . 10.0 111.921 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -96.65 140.79 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -84.62 138.3 32.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.436 HD13 HD12 ' B' ' 23' ' ' ILE . 34.8 mt -85.59 133.33 34.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.529 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -94.22 142.77 27.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.486 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.81 -49.78 72.29 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.73 0.641 . . . . 10.0 112.73 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 36.51 2.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.033 -0.603 . . . . 10.0 114.524 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 48.7 mmm-85 -130.54 163.86 26.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.172 0.486 . . . . 10.0 109.834 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.4 162.3 13.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.842 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.433 HD12 ' O ' ' B' ' 18' ' ' GLU . 66.9 mt -65.91 -24.93 66.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.925 0.393 . . . . 10.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -72.58 -17.7 61.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.366 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -34.1 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 10.0 111.461 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.54 7.4 44.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.752 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 55.9 49.04 16.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -86.21 131.82 33.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.58 -171.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.253 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -78.1 156.33 30.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.293 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 62.01 22.86 13.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.862 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -84.79 140.19 31.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 59.1 m -97.78 122.15 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.956 0.408 . . . . 10.0 110.802 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.26 149.51 35.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.878 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -97.65 130.2 44.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.561 0.219 . . . . 10.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -112.48 110.39 20.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.279 0.561 . . . . 10.0 110.821 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -102.73 151.35 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.272 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt -97.58 157.51 15.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.371 . . . . 10.0 110.567 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -130.67 126.36 36.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.14 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -110.87 137.07 48.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.142 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 74' ' ' ARG . 26.1 ttp85 -90.45 -31.19 16.92 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.98 64.75 0.84 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.553 -0.619 . . . . 10.0 111.553 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.136 -1.369 . . . . 10.0 111.329 -179.634 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.422 0.153 . . . . 10.0 111.181 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 67.72 23.1 8.74 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.892 0.477 . . . . 10.0 111.147 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -52.52 59.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 10.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.84 -40.13 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.571 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.38 -42.52 99.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.709 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.79 -46.84 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.93 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 37.2 mtm -62.24 -43.54 98.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -60.51 -42.1 95.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -65.74 -43.07 90.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.851 0.358 . . . . 10.0 110.654 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.606 HD11 HG12 ' C' ' 486' ' ' VAL . 65.0 mt -62.07 -33.81 60.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.538 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -62.38 -31.45 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.919 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -72.08 -36.06 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 10.0 110.394 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 5.7 mmm -74.77 -43.98 52.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.237 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -126.66 90.57 49.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.69 3.37 7.86 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.759 2.306 . . . . 10.0 112.591 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -94.36 -4.46 48.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.719 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.63 127.07 27.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.653 0.263 . . . . 10.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.456 ' HD2' HD12 ' C' ' 475' ' ' LEU . 51.2 Cg_exo -53.59 141.77 62.28 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.153 2.569 . . . . 10.0 113.222 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.47 -40.53 82.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.685 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -66.31 -26.89 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.294 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' C' ' 475' ' ' LEU . 12.3 mt -75.85 -38.94 57.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.946 -0.391 . . . . 10.0 109.946 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.45 -41.7 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.71 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 35.7 mt -64.63 -26.01 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.006 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.78 -49.45 68.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.884 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.77 -34.44 73.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 10.0 110.316 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -28.24 64.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.417 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 73.7 mt-30 -83.41 -7.6 59.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.283 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.5 mm? -107.87 -56.42 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 10.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.1 p -77.55 -45.61 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.673 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 67.16 26.11 8.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.193 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 21.7 t -147.95 115.54 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.518 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.606 HG12 HD11 ' C' ' 464' ' ' ILE . 3.5 m -56.31 -32.33 35.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.961 0.41 . . . . 10.0 111.738 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.43 -37.43 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.725 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.42 -29.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.374 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 92.4 m -61.84 -59.49 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.476 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.454 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.84 -30.6 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.242 0.544 . . . . 10.0 110.061 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.536 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 39.1 t0 -66.48 -47.25 73.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.417 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -57.04 -36.55 70.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.814 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.82 -45.19 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.71 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -39.62 80.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.728 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 49.9 mm-40 -66.73 -43.13 85.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.981 0.419 . . . . 10.0 110.562 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 119.87 41.54 0.56 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.106 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -91.93 -52.29 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.5 mp -84.14 132.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.87 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -72.14 133.64 45.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 500' ' ' VAL . . . . . 0.448 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 34.6 m -80.02 165.86 44.3 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.374 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 501' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 52.0 Cg_exo -54.62 110.68 0.56 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.412 2.075 . . . . 10.0 112.251 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 502' ' ' PHE . . . . . 0.403 ' CD2' ' HB ' ' C' ' 504' ' ' THR . 65.0 t80 -109.47 129.13 24.27 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.731 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.8 90.58 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.517 2.144 . . . . 10.0 112.047 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 504' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' C' ' 502' ' ' PHE . 13.9 t . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.567 -0.73 . . . . 10.0 109.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -102.77 135.5 44.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.893 0.378 . . . . 10.0 111.047 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.51 161.77 18.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.337 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 66' ' ' THR . 73.3 m-85 -113.27 131.94 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.73 120.25 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.737 0.303 . . . . 10.0 110.794 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.88 139.42 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.092 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -123.21 159.68 28.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.73 -15.26 63.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.088 0.47 . . . . 10.0 110.854 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -5.43 59.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.04 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.57 31.7 44.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.979 -0.629 . . . . 10.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -114.53 107.85 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.283 -0.265 . . . . 10.0 110.283 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.42 104.44 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.838 0.352 . . . . 10.0 110.643 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -87.44 134.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.09 123.06 48.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -130.09 155.18 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.087 0.47 . . . . 10.0 111.865 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -93.29 116.5 29.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.697 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -134.09 167.66 25.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 56' ' ' LEU . 41.0 mm-40 -121.48 157.67 55.76 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.03 -39.22 92.01 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.102 1.868 . . . . 10.0 112.047 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.69 5.54 24.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.95 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.8 t0 -74.57 143.76 44.3 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 p -89.89 151.51 21.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.01 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -60.82 -33.78 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 10.0 109.903 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.76 -44.65 96.49 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.008 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -63.3 -36.87 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.959 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 90.1 t -62.91 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.81 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -63.13 -39.53 94.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.395 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.164 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.91 -42.74 89.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.041 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 26' ' ' VAL . 67.8 mt -64.9 -34.99 74.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.303 0.573 . . . . 10.0 109.475 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.85 -31.77 71.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.924 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -81.16 -22.2 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.361 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -93.94 -54.42 3.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.817 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -84.75 -44.03 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 10.0 111.285 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -24.76 9.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.366 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 44.1 mt -64.45 123.39 82.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 122.318 0.247 . . . . 10.0 111.264 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 23.2 Cg_exo -64.46 148.69 90.74 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.569 2.179 . . . . 10.0 112.205 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.5 Cg_exo -56.07 -23.32 43.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.222 2.615 . . . . 10.0 112.884 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.53 -29.57 64.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.709 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.54 21.93 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.754 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -106.43 100.15 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 14.4 mtp180 -97.98 96.73 8.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.19 126.51 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.379 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -122.45 139.63 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 50' ' ' LEU . 62.5 t80 -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 19.94 10.57 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.615 0.572 . . . . 10.0 111.567 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.27 63.15 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.748 -0.739 . . . . 10.0 113.751 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -134.73 152.32 51.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.181 0.49 . . . . 10.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -77.53 151.33 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.3 mt -103.09 141.83 35.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.896 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 64.7 mt-10 -82.74 144.04 30.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.99 -30.82 69.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.304 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.99 7.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.122 -0.561 . . . . 10.0 113.266 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -128.32 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.118 -0.327 . . . . 10.0 110.118 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -109.02 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 18' ' ' GLU . 64.5 mt -65.91 -36.62 83.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 m -65.82 -25.79 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.605 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.84 -34.44 77.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.173 0.511 . . . . 10.0 110.195 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -100.79 10.76 40.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.424 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.65 34.43 20.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.75 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.18 124.28 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.189 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -112.24 -164.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.05 154.13 40.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.769 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 67.63 14.73 9.61 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.803 0.689 . . . . 10.0 112.39 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -82.5 148.7 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.799 0.333 . . . . 10.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.3 m -111.49 122.52 48.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.764 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.29 156.84 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -107.7 127.39 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.71 -0.223 . . . . 10.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -107.67 100.53 9.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 10.0 110.153 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 79.5 t -88.96 136.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.778 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.72 175.91 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.455 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -156.49 144.63 19.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.211 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.53 160.96 15.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.935 0.397 . . . . 10.0 111.27 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -129.34 130.39 46.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.384 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -69.59 2.88 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.113 -0.565 . . . . 10.0 112.922 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.867 0 CA-C-O 118.412 -1.216 . . . . 10.0 112.858 -179.302 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.45 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -104.99 135.0 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.065 0.459 . . . . 10.0 111.664 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -118.32 152.45 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.87 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -104.41 121.56 43.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.647 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.52 118.41 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -105.32 134.49 48.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.885 0.374 . . . . 10.0 110.695 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -102.29 173.23 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.98 -8.09 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.21 -4.2 46.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 10.0 110.969 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.44 -12.88 67.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.55 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -66.01 126.04 27.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.802 0.335 . . . . 10.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -116.23 111.55 20.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.85 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.48 152.51 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.096 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.81 127.7 56.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.012 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.6 148.53 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.009 -0.277 . . . . 10.0 111.339 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.06 120.54 31.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.759 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -142.92 -177.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -146.69 159.96 42.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.712 -0.848 . . . . 10.0 108.712 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.64 -48.66 15.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.485 2.123 . . . . 10.0 112.228 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -82.61 63.43 6.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 10.0 111.181 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -138.58 123.46 18.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.433 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.8 141.51 51.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.333 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.4 -38.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.601 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.63 -38.62 81.85 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.396 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.17 -36.4 79.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.905 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.43 -39.22 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.927 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -62.41 -34.19 76.26 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.312 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.61 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.195 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.52 -36.18 83.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.02 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.67 -40.96 71.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.24 -42.26 94.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.37 -20.88 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.978 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -103.72 -57.63 2.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.92 -13.75 55.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 27.21 71.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -103.61 122.74 43.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -56.54 139.83 88.39 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.584 2.189 . . . . 10.0 111.988 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.4 Cg_exo -59.24 -20.54 55.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.728 2.285 . . . . 10.0 112.225 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -17.47 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.53 11.11 19.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.951 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.9 106.59 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.37 94.28 4.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 mt -84.73 120.72 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.414 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -119.76 131.72 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.915 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 89.3 t80 -130.57 127.58 39.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.37 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 27.42 16.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.747 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.94 6.65 86.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.048 -0.596 . . . . 10.0 113.07 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -123.44 140.42 53.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.351 . . . . 10.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.61 137.02 35.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.184 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.0 mt -89.93 138.52 31.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.629 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -87.89 146.76 25.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.002 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.81 -31.8 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.309 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.37 32.31 5.56 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.956 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 30.1 mmt180 -126.04 158.34 35.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 10.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 162.54 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.087 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.28 -37.4 87.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 10.0 111.256 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -15.36 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.49 -32.12 70.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.284 0.564 . . . . 10.0 110.104 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.452 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.4 m-85 -103.37 11.26 36.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.082 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' C' ' 484' ' ' ARG . 59.5 t30 60.94 39.32 16.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.554 0.692 . . . . 10.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' B' ' 59' ' ' TYR . 67.3 mt -86.82 103.31 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.577 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 4.5 tt0 -94.89 -168.79 1.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.543 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 1.0 OUTLIER -72.3 161.12 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 32.5 mt-10 71.5 8.74 6.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.047 0.539 . . . . 10.0 111.907 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.7 m -82.02 144.11 31.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.273 -0.269 . . . . 10.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -108.04 122.8 47.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.26 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.75 134.97 49.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.288 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -94.64 122.25 37.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.756 0.312 . . . . 10.0 110.74 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 tp -101.05 106.18 17.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -98.24 140.85 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.614 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.0 mt -84.82 171.68 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.983 0.421 . . . . 10.0 111.137 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.89 105.15 3.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.346 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.2 155.7 18.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' B' ' 74' ' ' ARG . 3.9 mmp_? -129.07 -12.18 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.996 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.28 11.69 10.49 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.503 -0.856 . . . . 10.0 113.104 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 119.125 -0.82 . . . . 10.0 111.425 179.674 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.384 0.135 . . . . 10.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 68.96 20.12 7.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.551 0.532 . . . . 10.0 110.808 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -59.53 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.498 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.57 -30.99 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.581 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.84 -45.79 87.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.996 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -64.82 -41.59 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.215 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.69 88.25 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.717 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.5 mtm -67.52 -40.46 85.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.489 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.78 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.71 -41.23 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.022 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' C' ' 467' ' ' MET . 26.4 tp60 -64.97 -41.39 95.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.315 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.96 -33.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.32 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -64.95 -29.44 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.146 0.498 . . . . 10.0 109.944 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -78.23 -14.01 59.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.23 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.433 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 87.9 mmm -96.18 -37.06 10.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.1 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -132.94 83.1 53.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.693 179.276 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.2 41.69 0.9 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.928 2.419 . . . . 10.0 112.655 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -137.32 -19.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.64 130.91 35.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.494 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.54 130.17 35.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.787 2.325 . . . . 10.0 112.742 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -51.29 -41.97 60.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 10.0 112.288 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -66.46 -30.97 71.43 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.39 -34.24 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.8 -43.88 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.758 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.29 -26.48 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.406 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.13 -53.52 43.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.6 -26.78 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.216 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -29.92 66.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -88.77 -6.18 57.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.91 -61.09 1.43 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.14 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.8 p -77.92 -39.24 43.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.022 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.429 ' HB2' ' ND2' ' B' ' 60' ' ' ASN . 7.3 mtt180 57.48 37.77 27.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.321 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -157.18 116.52 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.073 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.79 -23.77 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 10.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.13 -21.69 62.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 19.1 mt -107.43 -40.19 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.247 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.439 ' O ' HG13 ' C' ' 493' ' ' ILE . 21.1 m -56.03 -64.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.902 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -36.05 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.758 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 11.0 t70 -66.54 -54.75 20.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.115 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -16.77 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.475 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 489' ' ' THR . 18.0 mt -65.61 -42.03 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.79 -35.66 75.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.269 -0.878 . . . . 10.0 110.265 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.75 -36.7 83.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.568 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.69 30.45 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.77 -0.729 . . . . 10.0 112.898 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -70.08 -46.36 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.248 0.547 . . . . 10.0 109.635 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.42 HD13 HG12 ' C' ' 493' ' ' ILE . 4.2 mp -90.8 129.21 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -66.93 119.5 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.152 0.501 . . . . 10.0 110.809 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.13 160.99 81.23 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.44 105.12 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.544 2.162 . . . . 10.0 112.147 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -99.29 139.93 21.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.667 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.88 85.15 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.4 0 C-N-CA 122.681 2.254 . . . . 10.0 112.316 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.327 -0.844 . . . . 10.0 109.506 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -116.28 133.69 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -122.97 160.05 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.177 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 66' ' ' THR . 94.9 m-85 -115.43 129.28 56.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.14 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.3 126.43 74.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -111.4 133.98 53.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 10.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -98.41 171.32 8.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.815 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.7 -14.5 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.148 0.499 . . . . 10.0 110.573 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -8.58 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.686 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.05 17.06 59.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.063 -0.589 . . . . 10.0 113.001 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -95.02 129.64 42.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.928 0.364 . . . . 10.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.16 121.43 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.441 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.57 131.3 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.46 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.8 114.86 27.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.242 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 30' ' ' ILE . 56.8 mt -117.63 147.03 43.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.061 0.457 . . . . 10.0 112.007 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -101.16 119.47 38.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.226 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG2' ' A' ' 1' ' ' MET . 13.0 m -143.55 165.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.067 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 26.6 mm-40 -119.5 159.87 44.18 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.4 -27.53 49.37 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.542 2.161 . . . . 10.0 113.18 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.98 1.3 53.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -73.4 128.49 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 10.0 110.776 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.58 145.53 34.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.439 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.16 -38.65 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.984 0.421 . . . . 10.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.69 -39.25 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 10.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -68.64 -37.8 79.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 22' ' ' THR . 99.2 t -62.31 -42.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.186 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -63.33 -32.99 74.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.555 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.19 80.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.79 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.27 -32.5 73.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.667 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 15' ' ' LEU . 75.8 mt -72.3 -44.97 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.785 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -59.73 -34.59 73.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.127 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.62 -26.45 68.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.425 . . . . 10.0 112.051 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.93 -46.97 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.52 -34.94 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.399 . . . . 10.0 111.84 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.51 -24.96 28.27 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.014 -0.613 . . . . 10.0 111.819 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.57 122.9 64.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 122.712 0.405 . . . . 10.0 111.076 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.5 Cg_exo -57.77 136.71 77.15 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.605 2.204 . . . . 10.0 112.271 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 38.0 Cg_exo -58.0 -22.71 56.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.908 2.405 . . . . 10.0 112.662 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.58 -22.11 63.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.41 0.624 . . . . 10.0 110.831 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -104.92 8.6 34.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.289 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.16 115.24 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.263 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -112.03 99.15 7.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.29 119.98 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.923 0.392 . . . . 10.0 110.827 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.96 141.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -139.83 117.36 11.45 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.97 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 6.62 88.09 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.856 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -115.02 143.64 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.244 0.522 . . . . 10.0 110.779 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -88.56 131.03 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.912 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.38 143.56 27.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.9 mt-10 -94.14 149.7 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.708 0.289 . . . . 10.0 110.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -42.89 99.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.76 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 45.28 3.34 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.754 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 29.6 mmt180 -138.4 165.62 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -111.97 170.37 8.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.811 0.339 . . . . 10.0 110.606 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.79 -34.47 78.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.913 0.387 . . . . 10.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m -64.54 -26.98 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.361 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.42 -25.38 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.01 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -111.16 10.57 21.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.735 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.99 27.91 17.75 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.379 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.77 125.86 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.796 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -134.23 -153.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.304 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -68.72 155.56 39.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.271 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 67.72 4.57 3.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.901 -0.591 . . . . 10.0 112.479 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -85.59 130.7 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -101.7 118.48 37.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.16 146.2 24.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.114 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.548 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 29.2 m80 -105.59 151.97 23.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.419 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.45 117.88 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.371 0.605 . . . . 10.0 111.914 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.625 HG13 ' HB ' ' C' ' 490' ' ' THR . 37.6 t -98.63 145.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.306 -0.861 . . . . 10.0 109.485 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD13 ' HG2' ' C' ' 487' ' ' GLU . 67.2 mt -103.05 -174.91 2.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.783 0.325 . . . . 10.0 110.891 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 12.4 ttt180 -149.52 149.98 31.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.786 -0.449 . . . . 10.0 109.786 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD12 HG12 ' C' ' 488' ' ' ILE . 0.6 OUTLIER -140.4 97.89 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.372 . . . . 10.0 111.332 -179.249 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.59 ' NH2' ' HG3' ' C' ' 495' ' ' GLU . 68.3 mmt-85 -130.65 31.48 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.097 0.475 . . . . 10.0 110.486 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.15 45.16 0.91 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.188 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.808 -0.996 . . . . 10.0 111.477 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -103.31 141.02 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.986 0.422 . . . . 10.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.35 159.94 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.779 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -117.79 115.16 24.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.852 0.358 . . . . 10.0 111.091 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -103.34 114.93 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -103.3 124.36 48.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.15 0.5 . . . . 10.0 110.868 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.77 165.6 14.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.329 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.96 -20.39 57.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.218 -0.446 . . . . 10.0 112.002 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.5 p -83.83 -5.1 59.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.101 0.477 . . . . 10.0 111.025 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.27 -11.54 65.39 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.614 -0.594 . . . . 10.0 111.614 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.66 127.09 30.25 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.869 0.366 . . . . 10.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -114.28 107.8 16.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.285 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.45 133.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.912 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -99.67 120.34 39.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.303 -0.628 . . . . 10.0 109.303 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.45 156.51 33.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 10.0 111.594 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -101.59 120.18 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.219 -0.9 . . . . 10.0 110.102 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.3 m -139.41 173.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 47.5 mm-40 -125.76 157.92 67.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.54 -31.14 77.4 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.572 2.182 . . . . 10.0 113.244 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.28 9.72 27.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.925 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.95 138.81 39.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.72 -0.392 . . . . 10.0 110.03 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.0 m -86.93 143.29 27.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.677 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 46.5 mm -53.08 -42.19 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.539 -0.3 . . . . 10.0 111.249 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -40.52 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.623 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.1 -35.33 76.34 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.994 0.426 . . . . 10.0 109.898 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 56.9 t -62.9 -43.59 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 23.6 mtpt -61.72 -39.2 90.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.29 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.59 -41.9 98.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.47 -39.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.244 0.545 . . . . 10.0 109.852 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.28 -37.24 86.46 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.483 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.91 -20.78 61.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.788 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -91.77 -64.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.762 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -80.54 -31.12 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 112.161 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.57 -7.64 59.7 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.863 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.89 122.18 86.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.509 -0.182 . . . . 10.0 110.509 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -55.34 140.71 82.18 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.075 2.517 . . . . 10.0 112.883 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 25.2 Cg_exo -62.52 -22.59 74.19 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.077 2.518 . . . . 10.0 113.117 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.17 -21.92 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 10.0 110.655 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -101.29 -3.94 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.346 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -89.44 120.23 30.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.64 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -121.91 95.5 4.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 mt -82.03 131.19 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.577 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -126.32 131.25 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.432 ' HB3' HD21 ' B' ' 50' ' ' LEU . 64.5 t80 -128.35 120.58 27.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.622 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 28.48 17.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.735 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.33 80.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.827 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -108.37 128.58 54.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.667 0.234 . . . . 10.0 110.448 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.15 134.03 40.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.3 mt -82.37 130.29 35.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.909 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -89.15 135.37 33.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.91 0.386 . . . . 10.0 109.978 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -47.74 19.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.363 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 37.14 2.84 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.663 -0.78 . . . . 10.0 114.343 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 54.6 mmt-85 -130.31 166.03 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.339 0.57 . . . . 10.0 110.031 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.1 p -104.89 175.72 5.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.743 0.306 . . . . 10.0 110.203 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.8 mt -70.63 -32.75 70.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.152 0.501 . . . . 10.0 110.206 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.3 m -72.8 -15.32 61.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.726 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.7 m-20 -70.22 -26.7 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.063 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.62 13.93 15.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.213 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 62.1 39.64 12.78 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.408 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.58 90.61 2.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.164 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -79.94 -177.83 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.2 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -71.04 156.71 39.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.056 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.83 12.93 8.71 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.216 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.1 m -83.17 147.1 28.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.718 0.294 . . . . 10.0 110.226 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.6 m -103.81 129.39 51.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 10.0 111.052 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.432 HD23 HD11 ' B' ' 50' ' ' LEU . 3.1 mp -113.28 144.98 41.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.704 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -97.78 125.17 42.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.373 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -102.71 104.62 14.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 10.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -96.9 133.01 40.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.708 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.28 121.87 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.045 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -105.12 112.4 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.875 0.369 . . . . 10.0 110.799 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -90.62 141.22 29.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.402 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -136.22 120.88 18.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.085 0.469 . . . . 10.0 111.052 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.17 109.49 0.56 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.613 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.216 0 CA-C-O 118.517 -1.157 . . . . 10.0 111.595 -179.644 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.532 0.206 . . . . 10.0 110.818 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.34 30.55 17.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.618 0.367 . . . . 10.0 111.542 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.2 m -59.85 -58.3 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.689 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -58.72 -38.87 79.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.889 0.376 . . . . 10.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.62 -44.95 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.044 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.06 -43.39 98.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -44.83 87.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.822 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.8 mtm -62.71 -43.03 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.822 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.98 97.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.806 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -38.19 90.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.652 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -64.28 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 10.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.444 HD11 HG12 ' C' ' 486' ' ' VAL . 92.7 mt -71.62 -38.51 67.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.916 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.67 -34.46 72.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.115 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.24 -37.36 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 14.6 mtm -79.49 -39.98 30.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.903 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 27.9 m-85 -120.49 80.31 30.16 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.54 39.19 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.405 2.07 . . . . 10.0 111.891 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -142.38 15.37 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.895 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.6 p -124.9 132.7 24.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.157 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.12 129.27 32.56 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 10.0 112.783 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.83 -41.61 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -66.07 -27.72 68.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 475' ' ' LEU . 18.1 mt -72.96 -39.67 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.05 -47.58 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.21 -29.82 71.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -67.46 -51.73 47.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.291 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.64 -34.09 77.08 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.5 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -24.29 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.139 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -91.41 -14.83 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 10.0 110.729 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.57 -52.17 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.116 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 483' ' ' THR . . . . . 0.484 ' HB ' HD12 ' C' ' 488' ' ' ILE . 28.4 p -82.24 -34.16 28.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.951 0.405 . . . . 10.0 110.673 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.69 19.62 10.76 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.253 -0.885 . . . . 10.0 111.79 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -154.6 134.73 13.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.012 0.435 . . . . 10.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.444 HG12 HD11 ' C' ' 464' ' ' ILE . 28.3 m -67.64 -15.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.128 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 71' ' ' LEU . 13.1 mt-10 -75.3 -21.44 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.374 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' C' ' 483' ' ' THR . 0.0 OUTLIER -105.11 -32.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 10.0 110.956 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 34.9 m -57.93 -51.76 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 10.0 110.877 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.625 ' HB ' HG13 ' A' ' 70' ' ' VAL . 14.7 p -72.08 -33.68 68.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 10.0 110.671 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 56.8 t0 -63.38 -61.34 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.289 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 492' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 75.3 m-20 -52.39 -28.27 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.366 -0.834 . . . . 10.0 112.808 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.72 -43.19 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.54 -23.06 65.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 10.0 110.371 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.59 ' HG3' ' NH2' ' A' ' 74' ' ' ARG . 4.5 mm-40 -82.14 -56.18 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.303 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.57 40.19 0.33 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.868 -0.605 . . . . 10.0 112.203 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 497' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 9.9 tpp180 -100.25 -23.21 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.53 . . . . 10.0 110.403 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.52 139.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.175 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.27 113.24 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.795 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.1 m -80.08 158.71 72.0 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.459 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.82 98.95 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.536 2.158 . . . . 10.0 112.385 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.17 135.43 21.76 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.583 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.95 98.51 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.582 2.188 . . . . 10.0 112.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.205 -0.902 . . . . 10.0 109.735 -179.382 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -96.39 133.93 40.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.384 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -124.94 155.99 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.686 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.69 113.34 24.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.048 0.452 . . . . 10.0 111.14 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -96.1 125.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -100.59 137.68 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.506 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -109.16 165.98 11.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.5 mt -73.35 -2.78 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 10.0 111.235 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -2.09 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 10.0 110.831 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.16 -0.36 78.44 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.98 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -82.67 133.27 35.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.736 -0.273 . . . . 10.0 110.499 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.39 133.7 49.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.201 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.31 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.45 119.8 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' LEU . 32.5 mt -116.96 135.83 53.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.12 0.486 . . . . 10.0 111.7 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.85 107.47 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.049 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.61 172.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.471 . . . . 10.0 111.693 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.3 mm-40 -118.25 158.04 47.5 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.58 -24.6 78.74 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 121.77 1.647 . . . . 10.0 111.315 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -4.88 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.962 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -71.81 145.0 48.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.62 150.89 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.172 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.89 -32.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.245 0.545 . . . . 10.0 110.153 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.59 -46.58 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.49 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.93 -33.23 73.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.73 -43.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.065 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -62.81 -34.44 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.151 0.5 . . . . 10.0 110.401 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.36 -40.53 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.074 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -64.62 -33.03 74.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.206 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.84 -46.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -67.17 -28.54 68.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.44 -37.78 73.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.506 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -106.22 -42.42 5.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -85.55 -36.72 20.28 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.662 0.615 . . . . 10.0 112.662 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.42 58.03 2.82 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.027 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -124.15 128.31 25.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.98 125.62 19.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.839 2.359 . . . . 10.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 -20.33 53.75 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.899 2.4 . . . . 10.0 112.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.67 -24.19 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.192 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -106.22 15.85 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.181 0.515 . . . . 10.0 110.757 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -102.37 93.55 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -96.14 96.24 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 133.46 35.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.101 0.476 . . . . 10.0 111.099 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.17 144.42 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.259 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -137.21 114.4 10.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.38 18.58 10.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.733 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 19.86 26.73 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.78 -0.724 . . . . 10.0 113.324 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -137.25 146.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 154.89 38.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.019 0.438 . . . . 10.0 111.484 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.47 130.91 54.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.778 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 mt-10 -83.14 145.63 29.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 10.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.79 -34.58 78.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.357 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.67 41.03 3.05 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.858 -0.687 . . . . 10.0 113.016 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.2 mmt180 -137.12 159.3 42.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 174.48 6.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.0 mt -69.79 -30.27 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 10.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -24.05 62.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.799 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.67 -26.12 68.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.711 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -114.13 15.16 18.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.716 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 56.74 47.69 17.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.313 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -97.43 106.1 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.356 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -97.33 -165.52 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.526 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 48.5 pttt -75.58 152.5 37.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 64.88 20.2 12.05 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.15 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -87.81 153.91 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.1 m -97.58 124.68 41.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 10.0 111.29 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.59 130.97 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.58 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -93.79 132.69 37.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.381 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -119.49 114.83 22.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.038 0.447 . . . . 10.0 111.028 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' C' ' 490' ' ' THR . 72.5 t -104.33 137.54 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.642 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 14.1 mt -100.46 157.81 16.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.46 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.2 OUTLIER -128.3 144.01 51.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' C' ' 488' ' ' ILE . 62.2 mt -121.02 -174.1 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.569 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -113.51 -49.4 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.088 0.47 . . . . 10.0 109.851 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.8 113.24 0.38 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.598 0 CA-C-O 118.057 -1.413 . . . . 10.0 111.482 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -113.02 146.34 39.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.815 0.34 . . . . 10.0 110.999 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -130.5 158.35 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.096 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' B' ' 66' ' ' THR . 96.6 m-85 -112.24 106.45 15.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.943 0.401 . . . . 10.0 110.742 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.423 HG21 HD12 ' B' ' 15' ' ' LEU . 94.5 t -97.44 118.26 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -102.1 135.4 43.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.817 0.341 . . . . 10.0 110.711 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -103.3 168.13 9.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.12 -22.2 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.058 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -10.56 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.658 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.2 62.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.202 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -91.86 125.42 36.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.632 0.254 . . . . 10.0 110.343 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.57 124.33 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.912 0.387 . . . . 10.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -107.65 126.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.366 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.87 108.84 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.542 HD11 HG12 ' B' ' 30' ' ' ILE . 93.8 mt -110.19 143.89 39.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.427 0.632 . . . . 10.0 112.24 -178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -92.28 117.85 30.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.748 -1.115 . . . . 10.0 109.319 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.75 173.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.036 0.446 . . . . 10.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.481 ' O ' HD12 ' B' ' 56' ' ' LEU . 32.5 mm-40 -129.98 154.67 81.23 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.68 -30.15 64.94 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.358 2.038 . . . . 10.0 112.575 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -2.07 51.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.18 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -75.7 135.47 40.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' B' ' 25' ' ' ASN . 0.2 OUTLIER -77.19 153.7 33.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.495 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.7 mm -58.54 -40.64 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 10.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.12 -29.06 70.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.198 0.523 . . . . 10.0 110.05 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' B' ' 22' ' ' THR . 11.9 m-20 -66.01 -41.95 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.46 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 30' ' ' ILE . 20.5 t -62.62 -39.19 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.525 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.01 -42.48 98.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.379 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.32 94.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.501 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.29 -35.89 82.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.271 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.542 HG12 HD11 ' B' ' 15' ' ' LEU . 83.6 mt -72.36 -37.09 57.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.238 0.542 . . . . 10.0 109.663 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.25 -44.7 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -4.82 50.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.502 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -99.68 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.582 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.28 -12.96 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.24 71.1 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.532 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -84.98 126.44 67.93 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.603 -0.147 . . . . 10.0 110.603 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.481 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 48.7 Cg_exo -55.2 133.49 58.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.516 2.144 . . . . 10.0 111.564 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.35 -18.56 63.42 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.82 2.347 . . . . 10.0 112.881 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.97 -42.33 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.46 18.52 4.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.348 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.2 mt-30 -99.79 105.04 16.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.913 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -104.53 100.11 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 mt -91.68 116.63 29.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.962 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -113.48 128.85 70.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.045 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -112.53 95.18 5.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.351 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.61 35.53 24.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.641 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.83 -19.51 54.31 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.106 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -86.61 114.68 23.53 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.3 130.74 42.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.1 mt -88.26 116.03 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 10.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 26.2 mt-10 -85.53 132.96 34.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.189 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.64 -36.99 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 28.6 5.75 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.906 -0.664 . . . . 10.0 114.635 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 15.5 mmt180 -127.85 165.74 19.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.548 0.674 . . . . 10.0 110.274 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -103.86 168.71 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.763 -0.458 . . . . 10.0 109.763 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -66.56 -33.46 75.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.956 0.407 . . . . 10.0 110.453 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -71.23 -11.62 61.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.662 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.04 -27.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.802 0.335 . . . . 10.0 111.259 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.426 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.2 m-85 -107.94 14.12 25.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.64 28.88 13.16 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.068 0.855 . . . . 10.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' B' ' 59' ' ' TYR . 73.8 mt -78.25 120.27 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.2 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.29 -163.29 0.85 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.154 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -74.76 149.87 39.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.791 -0.364 . . . . 10.0 111.377 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 68.25 23.0 7.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.047 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -81.37 152.25 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.1 m -107.68 126.35 52.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 10.0 111.254 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -113.68 136.12 53.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.187 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -95.48 115.42 27.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.284 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.18 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.245 0.545 . . . . 10.0 110.723 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.04 128.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.187 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.32 126.76 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.187 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -108.47 102.65 11.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 10.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.3 mt -104.54 145.44 30.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -97.59 130.34 44.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.911 0.386 . . . . 10.0 111.074 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.09 -43.72 0.39 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.05 -0.82 . . . . 10.0 111.05 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 CA-C-O 118.396 -1.225 . . . . 10.0 111.404 179.369 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.496 -0.187 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.23 28.19 17.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.2 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 2.1 m -60.93 -51.41 69.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -70.68 -35.31 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.366 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.53 -45.33 93.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -68.66 -39.93 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.596 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 10.0 110.457 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.23 -43.35 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.355 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.703 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -59.5 -45.8 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.123 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -63.47 -34.32 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.153 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.489 HG23 HG23 ' C' ' 490' ' ' THR . 81.6 mt -67.03 -41.96 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.073 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.56 -26.47 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.513 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.27 -23.31 51.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.43 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 20.1 mmt -88.64 -38.76 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.873 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.83 78.42 15.91 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.01 63.02 8.66 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.476 2.118 . . . . 10.0 112.469 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -169.58 24.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.703 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.83 136.19 21.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.25 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.52 121.19 9.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.725 2.283 . . . . 10.0 112.517 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -56.57 -37.6 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.623 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -64.22 -27.28 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.979 -0.289 . . . . 10.0 111.307 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.42 HD13 HG23 ' C' ' 498' ' ' ILE . 67.8 mt -79.43 -34.4 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.72 -42.94 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.35 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 11.7 mt -66.15 -25.15 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.693 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -69.35 -48.09 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.03 -35.8 81.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.178 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.6 mt-30 -85.69 -7.68 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 10.0 110.898 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.35 -55.31 2.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.019 0.437 . . . . 10.0 110.95 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 50.1 p -79.08 -45.22 20.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.21 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 65.87 44.89 2.67 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.946 0.778 . . . . 10.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.2 t -163.76 135.7 4.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.91 -20.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.151 0.501 . . . . 10.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 2.6 mp0 -86.66 11.42 12.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.127 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.474 ' CG1' HD12 ' A' ' 73' ' ' LEU . 17.1 mt -129.13 -45.1 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.518 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 51.0 m -56.54 -60.23 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.489 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -69.01 -31.29 70.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.235 0.54 . . . . 10.0 110.686 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.508 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 16.0 t70 -68.69 -59.34 3.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.731 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.7 -32.9 63.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.041 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.1 mt -61.49 -37.63 78.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.826 0.346 . . . . 10.0 110.49 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.39 -26.77 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.526 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.497 ' HG3' HH22 ' A' ' 72' ' ' ARG . 6.6 mm-40 -82.86 -36.22 25.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.416 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.51 112.93 1.75 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.035 -0.602 . . . . 10.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -161.75 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 10.0 110.726 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.42 HG23 HD13 ' C' ' 475' ' ' LEU . 55.6 mt -89.5 135.15 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.84 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -80.54 111.31 16.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.404 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 26.2 m -70.04 160.69 79.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.646 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.2 97.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.611 2.207 . . . . 10.0 112.332 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -94.41 132.59 28.64 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.865 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.69 107.42 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.749 2.299 . . . . 10.0 111.942 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.335 -0.841 . . . . 10.0 109.47 -179.571 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -103.44 144.17 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.659 0.266 . . . . 10.0 111.114 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -131.95 164.83 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.784 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' THR . 53.7 m-85 -120.74 125.72 48.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.733 0.301 . . . . 10.0 110.384 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.35 119.43 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -89.4 137.72 32.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.791 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 46.6 p -123.2 165.18 17.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.439 . . . . 10.0 111.092 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.7 -8.85 58.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.83 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.6 14.38 21.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.12 41.83 96.84 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.101 -0.571 . . . . 10.0 112.855 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -133.04 124.97 28.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.802 0.334 . . . . 10.0 110.964 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -99.21 108.68 21.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.61 139.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 128.56 53.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.5 150.36 46.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.937 0.398 . . . . 10.0 111.217 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -99.6 123.7 44.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.976 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.88 -179.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.865 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -142.26 159.13 59.51 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.44 -27.72 69.66 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.328 2.019 . . . . 10.0 112.603 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.79 3.38 45.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.655 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.47 149.27 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 10.0 110.586 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.08 150.47 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.138 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.32 -38.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.772 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.03 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -64.93 -35.34 80.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 10.0 109.888 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 30' ' ' ILE . 72.0 t -63.63 -42.07 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.332 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.27 -41.26 88.45 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.65 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.545 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -64.44 -35.44 80.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.403 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.4 mt -69.75 -38.82 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.081 0.467 . . . . 10.0 109.869 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -72.83 -25.16 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.489 0.661 . . . . 10.0 109.462 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.35 -34.37 63.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -94.33 -49.25 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.02 -45.19 10.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 13.8 26.05 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.302 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -90.81 123.49 64.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -57.33 141.8 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.728 2.286 . . . . 10.0 112.229 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -56.6 -23.56 49.29 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.99 2.46 . . . . 10.0 113.006 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.45 -32.54 74.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.197 0.522 . . . . 10.0 110.509 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 12.75 34.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.664 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -105.12 102.98 12.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.51 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -105.67 96.86 6.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.15 116.63 21.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.213 0.53 . . . . 10.0 111.7 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.56 141.48 26.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.889 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 50' ' ' LEU . 36.4 t80 -137.97 126.61 23.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.233 -0.655 . . . . 10.0 109.233 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 15.87 7.13 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.64 0.588 . . . . 10.0 112.273 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.53 1.01 53.26 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.776 -0.726 . . . . 10.0 113.536 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -122.54 150.5 42.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.188 0.494 . . . . 10.0 110.372 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 10.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.8 mt -92.78 154.37 18.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.148 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 30.3 mt-10 -101.35 140.38 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.321 -0.4 . . . . 10.0 109.926 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.37 -40.8 75.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.78 39.82 2.86 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.891 -0.671 . . . . 10.0 113.564 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.5 mmt180 -133.58 165.04 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.411 . . . . 10.0 110.123 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -112.33 169.69 8.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 18' ' ' GLU . 72.2 mt -65.89 -28.79 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 10.0 110.894 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 m -70.97 -25.63 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.141 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -65.7 -27.91 68.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.955 0.407 . . . . 10.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.81 6.67 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.927 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.37 51.78 11.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.585 0.707 . . . . 10.0 110.343 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -92.39 110.15 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.071 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -87.59 -170.39 3.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.795 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -76.78 153.66 34.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.926 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.53 23.61 11.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.163 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 m -83.94 150.53 25.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.019 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.5 m -104.59 116.72 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.97 0.414 . . . . 10.0 111.541 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -99.95 133.91 43.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -91.26 115.65 28.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.703 0.287 . . . . 10.0 110.904 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 51.0 tp -93.78 101.53 13.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.13 0.491 . . . . 10.0 109.944 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.2 t -86.31 120.94 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.653 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.42 149.85 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 16.8 ttt180 -155.31 141.21 18.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.694 0.283 . . . . 10.0 111.289 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.406 HD11 HG12 ' C' ' 488' ' ' ILE . 0.3 OUTLIER -129.07 145.69 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.338 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -128.5 12.09 6.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.988 0.423 . . . . 10.0 110.794 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.67 16.24 7.44 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.681 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.776 -1.013 . . . . 10.0 111.342 -179.88 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -106.15 130.73 53.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.044 0.449 . . . . 10.0 111.74 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -118.11 160.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.303 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.46 107.82 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.024 0.44 . . . . 10.0 111.354 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -94.58 115.05 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -99.72 116.96 33.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.153 0.502 . . . . 10.0 111.503 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.21 162.4 26.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.846 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.26 -21.5 63.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.288 . . . . 10.0 111.055 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -9.78 59.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.691 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 -10.13 61.36 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.29 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -68.05 135.18 51.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.822 0.344 . . . . 10.0 110.726 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -107.17 114.77 29.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.448 . . . . 10.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.65 127.6 51.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.885 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.11 129.42 36.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.013 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD11 HG12 ' B' ' 30' ' ' ILE . 11.8 mt -130.6 132.46 45.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.169 0.509 . . . . 10.0 111.573 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -91.68 104.27 16.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.517 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' B' ' 1' ' ' MET . 25.1 m -134.59 170.23 20.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.619 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -125.92 150.68 69.74 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.95 -35.21 24.49 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.056 2.504 . . . . 10.0 113.915 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.9 3.02 24.15 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.883 0.697 . . . . 10.0 112.883 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.63 149.76 29.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.85 145.12 27.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.884 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.46 -39.02 66.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.832 0.348 . . . . 10.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.76 -38.94 86.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.772 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -66.27 -35.69 81.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.194 0.521 . . . . 10.0 109.656 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 45.3 t -64.45 -46.27 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.596 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.57 -36.98 85.58 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.356 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -64.04 -38.53 91.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.46 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -67.0 -28.4 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.581 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 48.7 mt -71.83 -34.33 51.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.265 0.555 . . . . 10.0 109.803 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 1.5 pt20 -69.4 -27.73 65.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.0 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -43.26 43.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -72.79 -50.45 24.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.676 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -91.71 -79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.855 0.36 . . . . 10.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.39 23.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.312 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 10.9 mt -101.82 128.03 29.76 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.5 Cg_exo -57.46 139.13 89.2 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.508 2.139 . . . . 10.0 112.545 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 30.1 Cg_exo -61.27 -21.51 71.96 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.73 2.287 . . . . 10.0 112.497 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -9.5 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.82 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -117.86 16.79 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.63 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -125.54 123.96 40.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.964 0.412 . . . . 10.0 111.716 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -115.0 128.01 56.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.631 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -106.16 125.26 50.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.638 0.256 . . . . 10.0 111.108 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.32 128.23 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.306 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -131.3 124.23 30.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.369 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.81 25.94 15.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.794 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 1.77 83.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.12 -0.562 . . . . 10.0 112.543 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -114.7 143.08 45.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.667 0.27 . . . . 10.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.14 137.7 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.303 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' B' ' 45' ' ' PHE . 55.0 mt -89.28 128.24 35.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.328 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.89 145.17 25.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.113 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -68.68 -18.5 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.802 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.69 23.28 31.36 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.445 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -130.67 169.97 14.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.134 0.492 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 29.6 p -108.02 177.28 4.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.377 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 18' ' ' GLU . 17.0 mt -73.56 -36.34 65.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -72.02 -7.72 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.362 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.3 m-20 -70.78 -50.37 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.061 0.458 . . . . 10.0 110.193 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -93.41 15.13 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.09 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 64.12 27.71 14.09 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.384 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.2 mt -69.92 121.89 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 10.0 109.836 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.91 -172.65 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.109 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -66.63 158.58 29.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.589 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 61.1 16.36 7.06 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.62 -0.718 . . . . 10.0 112.652 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -91.36 135.88 33.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.47 117.75 30.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.153 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.0 137.14 41.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -92.38 126.01 37.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.768 0.318 . . . . 10.0 110.182 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.48 113.63 27.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.292 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -98.05 132.6 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -93.1 145.02 24.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.841 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -123.68 102.51 7.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.784 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.82 145.35 27.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -114.67 7.94 16.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.544 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 15.02 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.618 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.798 -1.001 . . . . 10.0 111.384 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 120.648 0.261 . . . . 10.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 62.03 23.28 13.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.955 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -45.07 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 10.0 111.302 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.98 -35.19 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.626 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.26 -38.08 60.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.023 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.57 -46.5 88.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.868 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.36 93.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.157 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -70.17 -42.06 72.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.41 79.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -58.28 -37.96 76.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.874 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' C' ' 467' ' ' MET . 21.2 tp60 -65.85 -40.11 91.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -34.96 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.993 0.425 . . . . 10.0 110.115 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -63.0 -25.14 68.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.737 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.58 -18.48 48.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.676 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 36.8 mmm -92.69 -45.91 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.342 0.592 . . . . 10.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.68 88.8 35.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.314 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.98 29.75 0.5 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.19 2.593 . . . . 10.0 112.294 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.21 10.84 4.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.243 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.9 p -117.13 130.77 24.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 10.0 110.453 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 46.7 Cg_exo -57.33 128.19 28.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.331 2.021 . . . . 10.0 112.223 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -56.89 -39.26 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 10.0 111.922 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -65.46 -22.27 66.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.715 0.293 . . . . 10.0 111.453 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 475' ' ' LEU . 23.6 mt -82.75 -35.82 26.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 19.1 t -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 10.0 109.797 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 79.7 mt -65.57 -16.87 64.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.02 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -80.61 -48.63 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.566 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' C' ' 480' ' ' LEU . 1.0 OUTLIER -57.22 -23.33 47.19 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.195 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 67.4 mt-30 -79.41 -18.78 51.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 10.0 111.187 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.86 -43.08 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.493 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.6 p -81.82 -45.76 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.711 0.291 . . . . 10.0 111.224 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.43 23.12 11.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.3 t -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.89 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.63 -29.19 46.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.156 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -60.4 -35.9 76.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.611 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.406 HG12 HD11 ' A' ' 73' ' ' LEU . 6.5 mt -87.99 -35.6 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.739 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.431 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.8 m -60.87 -52.85 63.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.747 0.308 . . . . 10.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -33.76 75.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.797 0.332 . . . . 10.0 110.955 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 18.5 t0 -69.32 -43.51 73.57 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.83 -34.17 67.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.88 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 489' ' ' THR . 87.7 mt -64.64 -46.01 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.757 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.72 66.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 12.0 mm-40 -69.48 -48.22 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.701 -0.227 . . . . 10.0 111.069 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 129.4 50.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.605 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -105.97 -37.5 6.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.228 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.31 136.93 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.698 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.67 120.15 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 25.2 m -73.55 153.47 89.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.616 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.64 110.55 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.875 2.383 . . . . 10.0 113.132 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -122.31 124.19 26.92 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.729 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -64.15 111.95 1.74 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.54 2.16 . . . . 10.0 112.116 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.936 -1.03 . . . . 10.0 109.355 -179.619 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.4 ptt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -91.61 132.01 36.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -120.3 150.81 22.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.68 116.26 31.63 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.7 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -109.43 121.98 63.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -102.99 148.52 25.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.997 0.427 . . . . 10.0 111.39 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -111.94 166.03 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.9 -19.19 65.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.395 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -13.79 59.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.1 15.53 38.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.403 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -102.45 130.91 49.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.632 0.253 . . . . 10.0 110.631 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -105.08 130.43 53.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.641 0.258 . . . . 10.0 110.546 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 mt -112.6 137.11 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.632 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.93 124.16 47.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.368 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -123.93 147.57 47.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 10.0 111.564 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -98.45 110.43 23.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.761 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.1 m -138.52 166.1 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.124 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.9 mm-40 -123.55 159.1 56.85 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.47 -29.01 38.13 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.563 2.175 . . . . 10.0 113.466 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 3.4 31.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.215 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.08 136.8 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.991 0.424 . . . . 10.0 110.193 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 149.41 26.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.55 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.39 -37.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.207 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.1 -44.04 91.93 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.944 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -64.39 -35.03 79.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 10.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 30' ' ' ILE . 42.5 t -65.04 -40.72 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.719 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -59.2 -40.97 87.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.051 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.26 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.612 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.89 -36.89 84.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.494 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 26' ' ' VAL . 80.3 mt -68.68 -41.0 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.241 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.43 -33.5 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.785 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.55 -24.0 67.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.476 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -106.77 -45.43 4.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.61 -40.58 13.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.08 39.61 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.592 -0.814 . . . . 10.0 112.754 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.56 122.62 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.7 Cg_exo -55.51 143.39 78.35 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.855 2.37 . . . . 10.0 112.499 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.6 Cg_exo -62.65 -17.77 60.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.965 2.444 . . . . 10.0 112.497 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.76 -34.68 78.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -100.97 3.1 41.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.125 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -87.82 95.81 10.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.827 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -99.32 93.52 5.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 10.0 109.604 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 50' ' ' LEU . 44.7 mt -80.97 125.48 30.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.446 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.27 138.93 50.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.263 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -132.19 118.57 19.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.245 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.46 19.84 10.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.79 -0.641 . . . . 10.0 112.412 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -10.98 55.14 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.699 -0.763 . . . . 10.0 113.027 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -110.39 151.0 28.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.85 0.325 . . . . 10.0 110.425 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.64 150.87 29.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 111.258 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.3 mt -100.08 138.42 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.633 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.72 135.77 33.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.742 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.97 -43.71 77.83 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.5 16.98 11.49 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.867 -0.682 . . . . 10.0 114.03 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -116.15 158.51 23.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.504 0.652 . . . . 10.0 110.741 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.5 p -98.48 178.54 4.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.1 mt -72.4 -36.49 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 109.886 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.6 m -65.86 -22.82 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.691 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -60.53 -31.68 70.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.25 14.9 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.812 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 61.48 28.75 18.01 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.401 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.58 106.42 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 10.0 110.662 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.45 -164.62 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 157.03 38.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.632 0.253 . . . . 10.0 111.4 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.58 29.49 13.08 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.929 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.2 m -92.13 148.09 22.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.945 0.402 . . . . 10.0 110.59 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -112.31 124.39 52.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.507 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.02 143.37 35.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.024 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -104.75 121.51 43.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.509 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.7 tp -100.31 103.64 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.076 0.465 . . . . 10.0 110.378 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.5 t -98.48 136.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.019 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.32 128.28 43.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.6 ttt180 -99.15 127.33 45.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.753 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.53 105.79 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.009 0.433 . . . . 10.0 110.833 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.479 ' CZ ' ' HG3' ' C' ' 495' ' ' GLU . 2.4 mmp_? -110.79 -7.24 14.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.41 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.02 48.2 0.96 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.98 -0.629 . . . . 10.0 111.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.727 -1.041 . . . . 10.0 111.3 179.848 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -101.49 130.99 47.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 10.0 111.124 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -118.39 158.71 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.04 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.68 110.65 17.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.154 0.502 . . . . 10.0 111.459 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -102.1 122.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.54 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 90.4 mttt -109.42 127.09 54.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.213 0.53 . . . . 10.0 111.129 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 163.04 15.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.309 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.87 -19.76 53.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -6.67 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 10.0 111.499 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -3.51 63.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.708 . . . . 10.0 112.478 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 81.0 tttt -67.79 137.84 55.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.923 0.392 . . . . 10.0 111.263 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -112.77 103.81 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.991 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.98 129.64 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.915 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -102.58 123.12 45.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.429 HD11 HG12 ' B' ' 30' ' ' ILE . 12.3 mt -126.62 145.03 50.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.962 0.411 . . . . 10.0 111.778 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.54 114.37 26.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.579 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.1 m -135.43 -175.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.529 ' O ' HD12 ' B' ' 56' ' ' LEU . 20.7 mm-40 -139.97 157.49 69.28 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.07 -37.86 69.2 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.32 2.013 . . . . 10.0 112.992 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.94 131.26 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 10.0 110.11 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.8 OUTLIER -70.48 142.39 51.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.903 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 30.0 mm -54.75 -42.63 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.995 0.426 . . . . 10.0 110.505 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.95 -38.81 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.942 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -72.42 -34.21 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 52.5 t -62.38 -47.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.0 ptmt -71.31 -21.91 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.719 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.98 69.6 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 67.6 mttt -67.85 -35.9 79.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 HD11 ' B' ' 15' ' ' LEU . 30.1 mt -71.03 -32.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 10.0 110.602 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.53 -12.7 55.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.029 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -99.13 -54.54 2.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -91.52 -29.57 16.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.845 0.355 . . . . 10.0 111.096 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.94 9.65 58.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.861 -0.685 . . . . 10.0 112.636 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.43 125.92 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 18.2 Cg_endo -61.69 137.44 68.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.51 2.14 . . . . 10.0 112.55 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.3 Cg_exo -58.8 -28.91 88.38 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.01 2.473 . . . . 10.0 113.024 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.67 -29.17 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.413 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.75 17.87 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.892 0.377 . . . . 10.0 110.36 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -108.22 108.36 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.634 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -114.24 115.13 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.147 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.29 132.48 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.81 133.4 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.57 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.0 t80 -129.22 123.08 31.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.206 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.29 21.45 10.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.03 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.86 -10.04 64.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -100.91 133.37 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.516 0.198 . . . . 10.0 110.667 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -77.34 129.13 35.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 34.3 mt -82.09 133.1 35.26 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.065 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 44.4 mt-10 -83.43 149.65 26.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.713 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -46.02 88.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.18 51.89 4.45 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.774 -0.727 . . . . 10.0 113.675 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.497 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 27.5 mmt180 -136.94 170.21 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.952 0.376 . . . . 10.0 110.493 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.22 160.17 16.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.818 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.529 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.1 mt -66.05 -40.19 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.552 0.215 . . . . 10.0 111.545 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.72 -39.52 94.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.873 0.368 . . . . 10.0 111.456 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -98.6 14.89 26.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.394 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 62.66 27.44 16.16 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.0 mt -77.01 119.51 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.0 0.429 . . . . 10.0 110.403 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -130.61 -163.79 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.571 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.94 159.1 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 65.45 4.58 2.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.467 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -84.73 134.06 34.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.731 0.301 . . . . 10.0 110.45 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.619 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.21 137.38 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.666 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -99.22 135.87 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.2 tp -111.18 115.62 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.066 0.46 . . . . 10.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.3 t -111.99 134.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -84.32 164.04 19.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.118 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -142.35 105.94 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 10.0 111.02 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.8 mt -106.24 144.96 32.19 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.88 31.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 10.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.27 -21.26 47.11 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 117.884 -1.509 . . . . 10.0 110.18 179.518 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.503 -0.184 . . . . 10.0 110.503 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 52.46 36.33 19.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.048 0.452 . . . . 10.0 111.33 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -49.52 75.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.796 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.84 -39.96 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 10.0 110.749 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.22 -40.77 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.83 -47.16 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.477 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.27 99.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 24.7 mtm -65.16 -40.12 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 10.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.68 81.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.418 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.21 -38.42 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.083 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -67.7 -36.38 80.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 36.2 mt -70.44 -35.62 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.925 0.393 . . . . 10.0 110.328 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -63.05 -25.87 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.513 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.67 -17.06 59.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.421 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 82.4 mmm -98.53 -41.37 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.106 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.447 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.8 m-85 -131.95 86.34 47.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.385 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.38 40.43 0.97 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.683 2.255 . . . . 10.0 112.565 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -141.96 14.21 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 10.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.447 HG12 ' O ' ' C' ' 468' ' ' PHE . 7.4 p -113.37 131.08 23.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 120.58 8.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.789 2.326 . . . . 10.0 112.643 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -53.39 -40.81 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.441 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -66.54 -20.63 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.621 0.248 . . . . 10.0 111.639 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' C' ' 478' ' ' GLN . 29.1 mt -87.68 -30.69 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.85 -43.15 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 10.0 109.552 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.13 -23.6 67.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 478' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' C' ' 475' ' ' LEU . 22.4 tt0 -71.95 -54.66 9.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.52 -37.98 82.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.646 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -20.81 57.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.729 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -86.32 -17.66 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 10.0 111.062 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.93 -47.74 4.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.382 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 24.4 p -84.18 -44.82 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 10.0 110.541 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.89 18.31 9.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.649 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 66.8 m -145.5 118.04 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.519 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.64 -28.59 23.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.866 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -56.82 -54.36 47.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.166 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.76 -23.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.499 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.7 m -70.19 -54.33 13.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.411 0.523 . . . . 10.0 112.411 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.8 m -60.22 -34.24 73.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.919 0.39 . . . . 10.0 110.503 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.472 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 29.7 t70 -73.86 -38.16 64.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.742 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -54.4 -32.77 57.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.827 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.6 mt -65.13 -44.26 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.82 -24.82 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 74' ' ' ARG . 11.5 mm-40 -75.52 -28.09 58.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.749 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 106.42 16.47 14.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.538 -0.839 . . . . 10.0 112.597 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -75.58 -40.92 55.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 10.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.85 123.07 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -72.05 109.2 5.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.915 0.388 . . . . 10.0 110.788 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 23.5 m -65.03 161.83 44.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.055 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.44 98.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.982 2.454 . . . . 10.0 112.746 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 502' ' ' PHE . . . . . 0.507 ' CG ' ' HD2' ' C' ' 503' ' ' PRO . 5.1 t80 -107.21 145.26 30.83 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 503' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' C' ' 502' ' ' PHE . 19.1 Cg_endo -60.1 97.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.715 2.277 . . . . 10.0 112.658 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.286 -0.864 . . . . 10.0 109.506 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -98.04 125.96 43.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.329 . . . . 10.0 110.856 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -117.2 153.94 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 66' ' ' THR . 98.5 m-85 -117.03 120.14 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.909 0.385 . . . . 10.0 110.58 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 t -109.64 120.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -104.84 134.3 48.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.968 0.414 . . . . 10.0 110.935 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.53 HG22 HD23 ' A' ' 69' ' ' LEU . 41.3 p -99.71 165.28 11.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 71' ' ' LEU . 9.6 mt -65.32 -13.15 57.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 10.0 110.901 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -12.39 59.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.376 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.75 11.47 57.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.571 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -95.58 139.7 31.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.586 0.231 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.71 108.9 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.081 0.467 . . . . 10.0 110.243 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -89.92 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.476 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -118.4 135.13 54.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 10.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.39 141.36 39.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.094 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -98.74 89.45 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.664 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 1' ' ' MET . 6.1 m -121.38 157.49 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.562 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.92 154.26 37.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.19 -32.71 51.32 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.588 2.192 . . . . 10.0 113.387 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.82 0.42 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -84.23 143.97 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.74 148.8 26.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.46 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.63 -39.99 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.176 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 -36.49 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.86 -38.03 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.858 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -41.35 91.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.057 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -57.59 -41.47 81.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.004 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.8 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 10.0 110.235 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -67.47 -32.7 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.346 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.5 -37.15 63.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.41 -35.49 80.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.177 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.147 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -85.9 -53.9 4.83 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.57 -28.84 24.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.93 57.41 Favored Glycine 0 C--N 1.323 -0.186 0 C-N-CA 120.278 -0.963 . . . . 10.0 111.771 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -100.38 121.09 54.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.1 Cg_exo -57.13 141.41 94.32 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.425 2.083 . . . . 10.0 111.974 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.9 Cg_exo -55.56 -23.97 42.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.908 2.405 . . . . 10.0 111.844 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -27.36 66.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.642 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.29 11.0 21.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.45 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.14 92.41 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 10.0 111.309 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -96.32 97.75 9.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.26 126.11 31.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.212 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.4 mp -124.84 139.18 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.048 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -132.83 112.03 11.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.195 -0.669 . . . . 10.0 109.195 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.56 17.96 11.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.31 -8.35 48.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.883 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -107.68 138.95 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.648 -0.325 . . . . 10.0 110.661 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 149.4 38.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 10.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -100.03 136.39 40.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.516 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.08 137.31 33.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.233 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.15 -42.0 84.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.275 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.8 47.2 3.75 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.727 -0.67 . . . . 10.0 112.943 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mmt-85 -142.04 159.39 42.33 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 p -102.78 165.3 11.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.41 -30.82 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.154 0.502 . . . . 10.0 110.475 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -23.8 63.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.535 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.46 -27.55 68.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.2 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -107.95 8.25 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 62.15 32.45 17.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.314 -0.857 . . . . 10.0 110.978 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.8 mt -75.6 109.01 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -95.93 -174.33 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.228 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 63.1 pttt -71.84 155.89 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.76 -0.2 . . . . 10.0 110.748 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 68.88 7.53 6.24 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.8 0.688 . . . . 10.0 112.219 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 m -77.76 141.36 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 4.0 m -100.94 117.54 35.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.969 0.414 . . . . 10.0 110.574 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -96.11 143.74 26.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.833 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -99.86 129.44 45.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.659 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD23 HG22 ' A' ' 7' ' ' THR . 46.8 tp -112.21 105.39 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.976 0.417 . . . . 10.0 110.425 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 44' ' ' ILE . 54.7 t -86.64 127.84 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.07 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 8' ' ' LEU . 18.2 mt -84.44 145.36 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.05 150.92 43.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.0 0.429 . . . . 10.0 111.366 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.605 HD11 HG12 ' C' ' 488' ' ' ILE . 2.5 pp -154.69 167.4 30.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.511 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.52 13.81 3.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.892 0.377 . . . . 10.0 110.642 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.39 170.18 31.61 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.303 -0.719 . . . . 10.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' B' ' 59' ' ' TYR . . . . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.421 -1.211 . . . . 10.0 111.998 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 20.9 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -108.76 144.02 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.06 0.457 . . . . 10.0 111.566 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 pt -124.83 162.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.571 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.93 106.33 11.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 10.0 111.516 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.31 123.83 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -108.54 128.57 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.937 0.399 . . . . 10.0 111.156 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -96.86 172.35 7.93 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.69 -8.1 52.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.989 0.423 . . . . 10.0 111.055 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -2.01 53.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.88 0.96 87.3 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.029 -0.605 . . . . 10.0 112.231 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.49 125.37 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.13 129.01 48.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.803 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.63 123.76 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 128.21 36.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.237 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.64 148.96 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 10.0 111.015 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -97.95 121.32 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.549 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.4 m -142.05 169.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.956 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 56' ' ' LEU . 64.7 mm-40 -128.83 160.75 61.62 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.86 -23.46 50.96 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.106 1.87 . . . . 10.0 112.57 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -91.42 7.57 40.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.588 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -78.48 136.28 37.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.514 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -84.06 147.32 27.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.216 178.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.607 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 51.2 mm -58.25 -40.85 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.24 -36.2 72.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.66 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.9 t30 -70.3 -36.88 74.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.16 -35.01 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.612 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 6.2 mmmm -61.06 -39.0 88.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.66 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.46 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.486 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 29.8 mttt -65.0 -40.67 95.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.31 -38.48 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 10.0 109.536 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.84 -44.59 89.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.9 -8.74 57.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 10.0 111.638 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -106.29 -48.76 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.501 -0.48 . . . . 10.0 112.102 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -102.64 -13.39 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 23.12 70.93 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.528 -0.844 . . . . 10.0 112.763 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.4 mt -87.28 131.7 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.742 -0.269 . . . . 10.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 26.8 Cg_exo -59.95 130.68 35.76 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.564 2.176 . . . . 10.0 112.24 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.5 Cg_exo -59.88 -26.58 82.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.811 2.341 . . . . 10.0 112.737 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -101.43 15.32 29.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.198 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.573 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 66.2 mt-30 -98.88 88.41 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.735 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 47.8 mtt180 -97.3 98.07 9.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.078 0.466 . . . . 10.0 110.222 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.46 126.39 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.677 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.32 127.82 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.311 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.3 t80 -120.94 111.24 17.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.564 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.3 29.87 18.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.976 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.35 -10.53 71.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.608 -0.806 . . . . 10.0 112.725 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.49 132.31 43.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.659 0.266 . . . . 10.0 110.461 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -79.71 130.65 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.0 mt -88.48 114.96 25.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.914 0.387 . . . . 10.0 111.017 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -81.46 151.72 27.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.879 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.27 -46.48 90.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.24 46.73 3.26 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.156 -0.545 . . . . 10.0 112.478 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 38.1 mmt180 -137.14 160.88 37.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 41.7 p -109.2 170.23 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.245 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -69.2 -20.85 63.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.609 . . . . 10.0 109.582 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.96 -5.7 59.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.356 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.3 OUTLIER -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.232 179.546 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 44.5 m-85 -105.14 7.1 33.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.709 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.43 61.77 1.94 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.622 0.725 . . . . 10.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.67 118.64 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.041 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.22 178.76 5.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.9 pttp -73.22 160.61 31.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 62.12 25.0 14.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.818 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -92.22 150.55 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.405 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -93.28 119.77 32.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.73 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.99 115.88 30.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.382 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -81.63 132.35 35.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.721 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -112.38 112.14 23.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.557 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 33.8 t -108.98 135.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.96 147.27 25.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.251 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -120.46 112.81 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.31 147.79 23.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -86.91 69.98 10.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.149 0.499 . . . . 10.0 110.818 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.8 -56.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.814 -0.708 . . . . 10.0 111.85 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.646 -1.085 . . . . 10.0 111.813 179.507 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.567 0.223 . . . . 10.0 110.73 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.452 ' OD1' HD12 ' C' ' 457' ' ' LEU . 98.2 m-20 62.54 27.86 16.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.709 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -60.14 2.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.963 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -65.98 -31.84 72.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.295 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 457' ' ' LEU . . . . . 0.452 HD12 ' OD1' ' C' ' 454' ' ' ASN . 46.9 mt -65.32 -37.57 87.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -70.44 -41.28 73.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.989 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.47 98.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.374 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 54.2 mtm -67.32 -35.92 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.487 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.08 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.523 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -58.7 -42.01 87.63 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.365 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.284 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 87.4 mt -71.25 -36.7 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.577 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -61.39 -34.01 74.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.716 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.73 -31.21 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.931 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 45.8 mtm -77.67 -35.76 52.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.137 0.494 . . . . 10.0 111.107 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.468 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.4 m-85 -116.69 82.81 13.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.518 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.94 40.18 0.71 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.779 2.319 . . . . 10.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.63 26.09 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.154 0.502 . . . . 10.0 110.619 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.468 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.6 p -128.31 134.9 26.77 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.324 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.52 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.4 Cg_exo -61.99 119.87 7.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.343 2.029 . . . . 10.0 111.936 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.46 -38.54 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.282 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -65.99 -24.48 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.647 -0.251 . . . . 10.0 111.226 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.52 HD12 ' HG2' ' C' ' 472' ' ' PRO . 36.2 mt -82.07 -35.21 28.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.69 0.281 . . . . 10.0 110.432 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.4 t -63.74 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.88 -26.91 68.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.976 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -68.81 -50.34 51.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.4 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.39 -35.7 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.462 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -26.47 61.29 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.371 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -85.05 -12.33 53.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.923 0.392 . . . . 10.0 110.942 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.6 mm? -100.91 -53.52 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.8 p -77.31 -39.55 47.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.688 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 62.64 24.03 14.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.838 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 t -158.85 129.31 5.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.021 0.439 . . . . 10.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 23.7 m -62.8 -17.57 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.228 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -79.41 -13.31 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.811 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.605 HG12 HD11 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -114.84 -39.38 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.739 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 15.6 m -55.25 -64.95 0.68 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.434 . . . . 10.0 111.857 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.42 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -56.68 -38.31 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.829 -178.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 32.8 t70 -64.4 -49.71 70.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 10.0 110.396 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 492' ' ' ASN . . . . . 0.494 ' ND2' HG22 ' C' ' 488' ' ' ILE . 11.1 m-80 -61.81 -38.89 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.642 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.23 -41.44 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.225 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -30.64 71.68 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.046 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 38.2 mm-40 -78.24 -46.69 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.376 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 135.37 50.73 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.605 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -84.59 -41.85 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.083 0.468 . . . . 10.0 110.663 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.11 139.68 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.333 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.25 116.05 23.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.26 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.22 157.28 77.99 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.12 114.48 1.92 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.629 2.219 . . . . 10.0 112.197 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -103.46 125.79 33.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.234 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.91 116.34 3.24 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.725 2.283 . . . . 10.0 112.241 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.255 1.364 0 CA-C-O 118.225 -0.893 . . . . 10.0 109.447 -179.52 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.803 0.335 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 16' ' ' GLU . 59.8 mm-40 -98.35 136.53 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.61 161.76 38.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.625 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -114.05 134.47 54.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t -111.68 113.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.856 0.36 . . . . 10.0 110.189 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -90.79 127.48 36.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.717 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -112.5 169.92 8.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.956 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.37 -12.79 60.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.18 0.514 . . . . 10.0 110.743 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -8.38 56.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.378 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.75 6.83 82.35 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.681 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -88.8 104.86 17.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.811 0.338 . . . . 10.0 110.532 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -82.24 104.04 12.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 10.0 110.139 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.66 145.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 128.42 56.3 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.43 148.54 52.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.924 0.392 . . . . 10.0 111.389 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB2' ' NE2' ' A' ' 2' ' ' GLN . 22.5 tt0 -104.2 112.32 25.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.848 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.46 -169.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.652 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.6 mm-40 -143.33 156.15 60.94 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.27 -35.1 62.58 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 10.0 112.743 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -11.11 60.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.197 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.18 152.41 44.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.961 0.41 . . . . 10.0 110.516 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.42 26.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.102 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.87 -38.98 54.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.965 0.412 . . . . 10.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 21.4 tt0 -57.92 -38.22 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.485 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -74.47 -33.04 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.087 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 99.6 t -64.06 -45.18 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.225 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 19.7 mtmt -63.38 -34.09 76.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.516 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.886 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.22 -36.29 83.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.07 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 26' ' ' VAL . 89.4 mt -65.29 -41.09 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.17 0.51 . . . . 10.0 109.771 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.97 -30.0 70.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.46 -24.25 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.188 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.45 -46.2 3.9 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -81.74 -35.75 29.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.72 -5.99 79.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.076 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.7 119.7 78.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.33 -0.248 . . . . 10.0 110.33 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.8 Cg_exo -55.74 143.88 78.57 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.397 2.064 . . . . 10.0 112.254 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.8 Cg_exo -59.17 -14.39 23.72 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.826 2.351 . . . . 10.0 112.665 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -43.29 99.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -94.5 4.62 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.383 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -88.47 105.82 17.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -107.56 101.35 10.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.44 133.6 33.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.824 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.18 139.2 51.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.16 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.5 t80 -133.94 120.85 20.85 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.01 16.93 10.28 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.749 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.0 5.53 53.24 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.636 -0.792 . . . . 10.0 113.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -125.57 144.84 50.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.196 0.498 . . . . 10.0 110.691 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.84 145.96 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.607 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 45' ' ' PHE . 47.1 mt -101.14 134.23 44.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.55 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.9 mt-10 -89.62 136.29 33.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.724 0.297 . . . . 10.0 110.676 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 24' ' ' GLU . 1.3 m-20 -58.01 -27.87 63.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.36 -2.58 90.25 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.002 -0.618 . . . . 10.0 113.332 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 33.1 mmt180 -103.0 160.89 14.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.173 0.487 . . . . 10.0 110.234 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 55.3 p -103.8 170.12 8.11 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.895 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.5 mt -65.17 -31.22 72.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.889 0.376 . . . . 10.0 110.585 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.87 -22.32 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.926 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.8 m-20 -65.48 -33.72 76.6 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.34 11.37 38.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.35 38.98 25.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.015 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.5 mt -83.61 121.17 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.366 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -111.02 -169.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.744 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -70.25 154.21 42.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.909 0.385 . . . . 10.0 111.451 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.49 29.24 13.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.651 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -101.5 147.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -104.14 128.12 51.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.192 0.52 . . . . 10.0 111.575 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.52 132.92 51.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.219 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -91.14 118.61 30.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.914 0.388 . . . . 10.0 110.758 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -101.72 103.92 14.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.049 0.452 . . . . 10.0 110.15 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.4 t -91.48 129.16 42.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.316 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -96.96 142.13 29.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.681 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.39 165.43 21.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.942 0.401 . . . . 10.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -119.73 -174.12 2.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.309 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -132.15 -46.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.316 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.87 153.46 20.3 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.419 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.252 1.257 0 CA-C-O 118.189 -1.339 . . . . 10.0 111.383 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -123.5 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 10.0 110.896 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.7 pt -122.29 168.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.329 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.04 114.1 21.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.42 118.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -102.72 129.9 49.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.945 0.402 . . . . 10.0 111.18 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.5 p -94.92 163.48 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -13.44 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -9.99 55.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.231 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.95 20.26 26.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 10.0 113.373 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -102.89 138.81 39.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.079 0.439 . . . . 10.0 110.315 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -112.38 115.51 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 10.0 110.174 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mt -98.81 133.11 42.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.16 122.26 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.71 151.36 51.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.204 0.526 . . . . 10.0 112.253 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 130.82 35.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.508 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -153.46 167.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 10.0 110.695 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -142.62 155.44 63.54 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.091 -1.077 . . . . 10.0 108.091 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 51.1 Cg_exo -53.08 -24.82 26.72 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.364 2.043 . . . . 10.0 113.226 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 4.24 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 10.0 112.071 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -85.33 142.12 29.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 10.0 110.393 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.1 m -89.12 144.69 25.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.582 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 54' ' ' ARG . 52.2 mm -54.13 -39.0 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 120.916 0.388 . . . . 10.0 111.277 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.52 -43.91 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.673 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.81 -36.91 84.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.87 -44.85 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.881 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -65.92 -34.05 77.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.409 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.32 89.04 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.131 0.491 . . . . 10.0 109.793 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.31 -40.11 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.65 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.9 mt -67.84 -33.12 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.054 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.63 -30.81 71.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.463 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.85 -30.44 50.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.087 0.47 . . . . 10.0 110.57 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.53 -50.42 9.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 10.0 112.198 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -97.41 -43.25 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.9 26.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.379 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.4 121.04 84.34 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.483 0.183 . . . . 10.0 110.775 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.95 150.97 60.55 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.737 2.291 . . . . 10.0 112.161 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.45 -17.53 54.19 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.155 2.57 . . . . 10.0 112.991 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.43 -27.64 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.045 0.45 . . . . 10.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -101.44 12.29 37.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.361 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -112.19 123.17 49.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.884 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -133.14 107.84 8.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -95.77 133.8 39.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 10.0 112.012 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.98 123.28 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.952 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.599 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -111.81 113.46 25.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.157 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.46 32.21 20.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.945 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 8.34 69.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.839 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.421 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 41.5 mtmt -114.75 116.0 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.762 -0.257 . . . . 10.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.26 126.58 29.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.1 mt -84.38 127.49 34.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.915 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 83.7 mt-10 -84.88 143.43 29.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.58 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.52 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.28 20.41 33.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.613 -0.804 . . . . 10.0 114.084 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.497 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 14.9 mmt180 -120.02 165.7 14.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.731 0.766 . . . . 10.0 110.885 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -108.01 -177.35 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.128 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 36.4 mt -68.34 -42.18 79.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.74 0.305 . . . . 10.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -63.86 -26.54 68.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 10.0 111.359 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.09 -37.19 79.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.123 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.25 11.89 30.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.61 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 63.07 30.1 16.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.533 0.52 . . . . 10.0 111.156 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.417 HG12 ' CD2' ' B' ' 45' ' ' PHE . 55.9 mt -74.61 118.44 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.475 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -128.47 178.92 5.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.297 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -68.0 172.03 6.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.736 0.303 . . . . 10.0 111.055 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 62.67 19.25 11.23 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.236 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -124.62 140.34 53.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.61 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -98.51 141.28 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.684 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.18 139.01 48.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -98.0 127.6 44.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.92 115.77 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 10.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -97.95 125.84 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.693 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.32 131.31 36.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.57 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttt-85 -113.92 115.0 26.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.136 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.27 148.52 42.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -79.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.391 . . . . 10.0 111.197 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.46 -67.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.154 -1.022 . . . . 10.0 112.632 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.441 -1.2 . . . . 10.0 111.506 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.686 0.279 . . . . 10.0 110.672 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' C' ' 458' ' ' ASN . 6.7 m-20 62.99 30.45 16.38 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 3.6 m -67.64 -48.49 66.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.995 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.46 -41.08 85.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.995 0.426 . . . . 10.0 110.232 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 457' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' C' ' 480' ' ' LEU . 53.6 mt -64.03 -43.14 96.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.793 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 458' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' C' ' 454' ' ' ASN . 1.4 t-20 -62.17 -46.38 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.014 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 26.6 mtm -64.77 -43.2 94.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 10.0 110.352 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.96 87.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 10.0 110.678 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -60.58 -39.19 87.15 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -66.02 -40.69 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.117 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.506 HD11 HG12 ' C' ' 486' ' ' VAL . 96.0 mt -68.37 -36.56 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -63.26 -22.4 66.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.156 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.68 -23.83 49.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.313 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 31.0 mmm -91.96 -39.91 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.982 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.579 ' O ' HG12 ' C' ' 471' ' ' VAL . 57.7 m-85 -124.73 92.3 48.04 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.6 6.18 5.62 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.702 2.268 . . . . 10.0 111.654 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -108.28 10.69 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.288 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.579 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -115.09 132.04 23.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 32.3 Cg_exo -60.23 125.2 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.459 2.106 . . . . 10.0 112.489 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.68 -40.01 62.48 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.287 0.635 . . . . 10.0 112.096 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 474' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 35.9 p-80 -65.05 -30.76 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.722 -0.217 . . . . 10.0 111.439 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.39 -34.46 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.9 t -64.81 -45.22 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 14.9 mt -64.78 -26.23 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.47 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 478' ' ' GLN . . . . . 0.436 ' HA ' ' NE2' ' C' ' 481' ' ' GLN . 1.4 tt0 -71.26 -45.97 61.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.83 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.423 ' OD1' HG23 ' C' ' 489' ' ' THR . 13.6 t70 -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.478 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.45 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -56.8 -25.99 56.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.31 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 47.7 mt-30 -76.26 -12.65 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.198 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.452 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 3.2 mm? -111.61 -48.44 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.71 -0.223 . . . . 10.0 111.422 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 8.2 p -75.18 -39.46 60.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 10.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' C' ' 482' ' ' LEU . 2.1 mpt_? 63.07 24.37 14.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.101 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t -170.9 132.9 0.89 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.765 0.317 . . . . 10.0 111.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.506 HG12 HD11 ' C' ' 464' ' ' ILE . 17.6 m -61.79 -21.36 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.549 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.26 -21.66 66.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.065 0.46 . . . . 10.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -40.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.287 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.45 HG21 HD22 ' C' ' 480' ' ' LEU . 9.7 m -52.7 -56.42 15.66 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 -40.75 75.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.356 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.37 -37.38 60.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 10.0 110.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -55.56 -40.04 71.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.15 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.31 -43.88 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.998 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.264 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -75.61 -8.27 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 10.0 111.151 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 90.19 21.18 39.38 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.913 -0.661 . . . . 10.0 113.545 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -73.31 -41.13 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.306 0.574 . . . . 10.0 109.855 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.95 135.4 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 10.0 108.999 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -75.27 122.93 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.622 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.54 161.31 77.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.471 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.39 66.55 2.14 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.741 2.294 . . . . 10.0 112.552 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -74.2 139.0 75.4 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.604 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.48 115.25 1.83 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.018 2.479 . . . . 10.0 112.404 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.481 -0.771 . . . . 10.0 109.466 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.878 0.371 . . . . 10.0 110.148 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.49 133.79 35.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.392 . . . . 10.0 110.624 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -120.31 154.15 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -113.12 115.21 27.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.608 -0.269 . . . . 10.0 110.936 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.91 118.61 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -101.4 133.61 45.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.734 0.302 . . . . 10.0 110.884 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 69' ' ' LEU . 33.2 p -102.94 166.91 10.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.001 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' C' ' 463' ' ' GLN . 11.4 mt -67.08 -17.66 64.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 10.0 110.871 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.72 2.51 37.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.04 37.85 48.97 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.948 -0.644 . . . . 10.0 111.519 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -115.63 132.38 56.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -104.64 108.61 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 10.0 110.326 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.61 129.74 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.604 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.74 126.67 52.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.16 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -126.19 148.13 49.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.836 0.351 . . . . 10.0 111.012 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -101.84 97.39 7.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.025 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.4 m -128.85 179.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.007 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -129.83 154.07 81.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.93 -16.29 25.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.849 2.366 . . . . 10.0 113.719 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.54 0.95 50.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -84.1 155.83 22.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.372 0.605 . . . . 10.0 111.801 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.35 146.19 24.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.261 -0.882 . . . . 10.0 110.446 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.05 -41.05 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.923 0.392 . . . . 10.0 110.669 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.45 -31.65 70.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.3 -34.15 59.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 10.0 110.285 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.36 -41.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.623 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 1.9 mmmm -60.74 -38.45 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.417 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.42 93.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.388 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -65.47 -37.32 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.847 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.12 -35.4 71.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.143 0.497 . . . . 10.0 109.899 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.64 -33.68 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.813 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -83.37 4.79 25.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.814 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -115.62 -51.19 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.467 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -102.39 -16.38 16.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.788 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.24 5.5 82.67 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.629 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 67.3 mt -82.9 124.38 76.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 122.084 0.154 . . . . 10.0 110.635 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.8 Cg_exo -59.68 147.26 92.77 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.73 2.287 . . . . 10.0 111.733 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -60.01 -23.83 74.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.726 2.284 . . . . 10.0 112.414 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -23.08 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -103.73 5.98 36.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.079 0.466 . . . . 10.0 110.908 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 77.4 mt-30 -101.73 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.401 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NE ' HD22 ' C' ' 494' ' ' LEU . 2.4 ttt180 -120.44 92.53 3.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -76.89 120.49 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.971 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.98 135.7 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.776 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.3 t80 -138.65 131.4 29.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 25.24 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.444 0.465 . . . . 10.0 111.806 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 22.09 59.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -140.76 158.1 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.637 -0.331 . . . . 10.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.22 137.87 31.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.814 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 45' ' ' PHE . 32.3 mt -91.76 152.57 20.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.43 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -96.92 150.52 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.966 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.8 -42.4 81.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.034 0.445 . . . . 10.0 110.546 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.73 54.6 4.97 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.749 -0.739 . . . . 10.0 112.191 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -145.37 157.3 44.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.75 156.37 18.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.73 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 18' ' ' GLU . 83.7 mt -61.21 -27.36 68.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.111 0.481 . . . . 10.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -26.56 64.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.788 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -69.55 -25.05 63.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.907 0.384 . . . . 10.0 111.216 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -105.56 5.97 31.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 10.0 110.197 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 t30 56.06 44.96 24.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -83.93 113.56 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.093 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.52 -169.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.366 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.05 154.57 41.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.685 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 64.59 24.76 13.07 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.454 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 140.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 124.56 49.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.772 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.14 143.88 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.092 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -99.35 125.43 45.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 7' ' ' THR . 59.0 tp -96.46 92.39 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.083 0.468 . . . . 10.0 110.525 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 54.2 t -78.79 122.81 34.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.357 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.88 131.43 36.42 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 3.3 ttt180 -125.89 143.65 50.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 10.0 110.839 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 mt -136.55 158.93 43.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.893 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -119.32 26.73 9.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.408 0.623 . . . . 10.0 109.832 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.72 -140.31 4.21 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.265 -0.879 . . . . 10.0 111.21 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.914 -0.937 . . . . 10.0 111.706 179.56 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -108.41 143.04 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.094 0.473 . . . . 10.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -128.47 165.49 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.302 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' B' ' 66' ' ' THR . 49.2 m-85 -119.98 120.24 35.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 10.0 111.001 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.31 118.49 52.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -103.01 126.98 50.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.975 0.416 . . . . 10.0 111.326 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.557 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -92.31 169.07 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.667 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.57 -22.35 66.28 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.833 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.18 4.96 32.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.856 0.36 . . . . 10.0 111.466 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.43 44.65 32.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.335 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.557 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 65.6 tttt -115.67 120.78 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -95.82 105.35 17.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.023 0.439 . . . . 10.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.43 132.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.288 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.8 114.12 26.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.052 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.4 148.19 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.045 0.45 . . . . 10.0 111.909 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.8 126.81 41.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.653 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 m -142.36 -177.65 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.773 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 14.9 mm-40 -147.26 162.81 31.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.25 -33.51 75.77 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.577 2.185 . . . . 10.0 112.286 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 13.49 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.081 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 1.5 t0 -85.79 134.31 33.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 147.05 26.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.662 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 48.4 mm -58.31 -39.89 75.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 10.0 110.369 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.0 -33.96 74.06 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.679 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.2 t30 -69.89 -37.49 76.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.883 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.5 -36.87 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.038 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 5.2 mmmm -58.27 -37.29 74.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.298 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.38 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 74.6 mttt -65.19 -42.26 93.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.82 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.81 -34.47 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.613 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tt0 -68.85 -32.86 72.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.46 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.62 -27.3 63.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 10.0 110.29 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -87.27 -63.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.908 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -85.44 -36.52 20.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.57 15.03 48.28 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.82 128.07 57.63 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.686 -0.257 . . . . 10.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.6 Cg_exo -54.46 139.82 74.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.925 2.417 . . . . 10.0 112.46 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.5 Cg_exo -60.22 -20.86 64.01 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.875 2.383 . . . . 10.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -18.74 61.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 48.1 mt-30 -108.41 10.18 27.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.13 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -102.6 113.52 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.267 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -115.32 100.37 8.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 mt -88.66 123.0 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.602 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.5 mt -121.27 127.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.315 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -119.48 115.04 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.635 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.7 27.7 14.73 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.66 -6.94 65.3 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 120.695 -0.764 . . . . 10.0 112.99 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -103.32 125.74 50.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.835 0.318 . . . . 10.0 110.66 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.91 122.62 25.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 23' ' ' ILE . 46.4 mt -71.32 139.77 50.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.121 -178.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -94.04 135.35 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.891 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.41 -25.66 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.85 30.67 6.41 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.925 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -134.26 166.61 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 10.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.4 p -109.7 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.951 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.4 mt -67.27 -36.89 82.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.562 0.22 . . . . 10.0 111.263 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -64.53 -24.91 67.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.471 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -65.49 -26.1 67.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.96 0.409 . . . . 10.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 94.3 m-85 -108.18 5.97 26.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.376 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 61.66 33.91 17.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.496 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' B' ' 59' ' ' TYR . 96.8 mt -78.51 115.24 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.62 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -99.19 -171.25 2.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.965 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -72.06 162.65 29.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.585 0.231 . . . . 10.0 110.88 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 63.38 20.98 12.57 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.922 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.3 m -83.26 144.63 29.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.623 0.249 . . . . 10.0 110.364 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 24.4 m -105.63 120.51 41.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.46 . . . . 10.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.69 135.15 48.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.14 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -93.09 120.01 32.93 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.75 106.85 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.039 0.447 . . . . 10.0 110.973 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 130.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.474 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -88.44 120.88 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.489 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 38.0 ttt180 -90.26 129.96 36.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.32 147.28 23.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.968 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.51 106.77 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.255 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.29 -34.49 0.6 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.773 -0.931 . . . . 10.0 110.773 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-O 119.107 -0.829 . . . . 10.0 111.056 179.376 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 453' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' C' ' 454' ' ' ASN . 4.9 p . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.475 0.178 . . . . 10.0 110.961 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' C' ' 453' ' ' SER . 5.3 m-20 73.55 17.73 3.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.035 0.534 . . . . 10.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.066 0.46 . . . . 10.0 111.58 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.47 -38.94 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.57 -37.4 86.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.637 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -67.0 -43.49 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.378 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.9 88.48 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.63 -38.79 77.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.63 95.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.653 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -56.29 -38.56 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.719 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 25.5 tp60 -63.13 -37.12 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.03 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.5 -36.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.368 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -65.11 -22.28 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.621 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.66 -12.73 60.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.897 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 38.7 mtm -107.19 -47.89 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.441 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.1 m-85 -117.33 100.92 53.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.01 -0.5 9.61 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.583 2.189 . . . . 10.0 112.733 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.95 31.46 3.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.729 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.441 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.5 p -133.77 132.37 21.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.3 126.45 20.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.389 2.06 . . . . 10.0 111.925 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.93 -38.52 72.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.939 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.44 -29.81 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.483 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.55 -35.31 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 10.0 110.022 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.37 -40.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.409 0.623 . . . . 10.0 109.343 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.39 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.988 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -75.86 -49.96 16.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.441 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.44 -36.27 83.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -26.82 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -91.15 -2.12 57.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.21 -51.34 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.295 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 62.0 p -89.68 -39.17 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.707 0.289 . . . . 10.0 111.144 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 62.82 32.1 16.08 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.604 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 26.0 t -150.94 115.51 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.315 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -60.77 -28.89 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.769 0.319 . . . . 10.0 111.457 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.52 -15.09 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.722 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.476 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 48.1 mt -107.94 -40.01 4.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.171 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -56.23 -58.06 9.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -38.76 82.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.343 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.501 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 16.1 t0 -67.42 -48.27 67.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 492' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 37.3 t30 -52.33 -44.31 65.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.953 -1.022 . . . . 10.0 110.472 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.58 -43.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.28 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.423 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -64.41 -27.72 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.314 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 495' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 9.3 mm-40 -76.09 -13.19 60.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.683 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.79 27.9 11.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.71 -0.757 . . . . 10.0 112.84 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -81.16 -35.53 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 10.0 110.162 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.85 131.25 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.3 106.86 3.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.721 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.14 156.01 89.03 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.12 109.79 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.67 2.246 . . . . 10.0 112.168 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -115.34 121.12 35.31 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.37 97.65 0.7 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.451 2.101 . . . . 10.0 112.091 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.253 1.274 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.895 -179.856 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -116.05 138.99 50.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.262 -0.274 . . . . 10.0 110.262 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' THR . 36.6 pt -127.03 159.69 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.2 m-85 -114.42 120.63 40.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.935 0.398 . . . . 10.0 110.513 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.04 126.32 52.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.189 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.81 121.22 41.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.197 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -100.3 162.21 13.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.237 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -70.02 -13.77 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.874 0.369 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -10.37 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.929 0.395 . . . . 10.0 111.114 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.74 7.67 61.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.805 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -91.97 128.59 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.682 0.277 . . . . 10.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -102.69 130.81 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -119.51 130.19 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.871 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 2.8 m -96.28 105.96 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.28 140.53 30.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.662 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.23 107.0 18.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.105 -1.072 . . . . 10.0 108.105 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.65 -178.45 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.874 0.369 . . . . 10.0 111.137 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.5 mm-40 -143.3 158.61 57.64 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.71 -35.64 48.36 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.473 2.115 . . . . 10.0 113.11 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.6 1.0 24.12 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.64 132.89 36.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -82.01 145.4 30.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.291 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.49 -34.98 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.888 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.97 -31.28 71.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.773 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.84 -37.11 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 10.0 109.981 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' THR . 58.4 t -59.33 -45.94 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.323 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -68.76 -24.65 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.563 . . . . 10.0 109.774 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.83 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.291 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.65 -36.98 85.26 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -70.04 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.539 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.503 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 39.1 tt0 -68.3 -30.13 69.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.088 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.07 -37.45 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.135 0.493 . . . . 10.0 110.87 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.03 -70.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.856 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.49 -36.7 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.6 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.05 32.86 8.1 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.517 -0.849 . . . . 10.0 112.134 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.0 mt -100.39 126.73 35.03 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.16 141.26 80.54 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.898 2.398 . . . . 10.0 112.076 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.06 -28.91 65.74 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 10.0 112.276 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.24 -20.92 64.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.151 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.92 12.66 28.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.061 0.458 . . . . 10.0 110.622 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -109.07 103.83 12.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.504 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -103.63 102.79 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.99 126.29 34.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.388 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.515 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' A' ' 50' ' ' LEU . 46.8 t80 -137.98 124.72 21.05 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 21.1 11.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.955 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 1.41 64.01 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.145 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -120.28 151.21 39.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.64 -0.329 . . . . 10.0 110.752 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 151.82 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 10.0 110.742 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 45' ' ' PHE . 40.8 mt -101.56 146.56 27.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.662 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -93.81 144.11 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.585 -0.279 . . . . 10.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.83 -47.13 85.9 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.53 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.194 -0.526 . . . . 10.0 113.01 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -140.15 153.73 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -101.63 167.39 10.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.807 0.337 . . . . 10.0 110.37 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 18' ' ' GLU . 56.3 mt -66.12 -31.56 72.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.279 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -21.76 64.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.255 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 10.0 110.934 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -104.29 12.26 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.426 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 62.91 29.43 16.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.213 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.86 125.13 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.981 0.42 . . . . 10.0 110.231 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.87 -166.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.538 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -72.43 148.58 45.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.94 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.76 22.95 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.214 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -82.41 142.4 31.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -97.65 120.79 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.135 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -105.5 130.65 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -92.24 125.06 36.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.964 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 tp -103.46 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.945 0.402 . . . . 10.0 110.35 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.26 131.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -89.03 148.0 23.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.716 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -146.18 145.51 30.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.712 HD11 HG12 ' C' ' 488' ' ' ILE . 0.3 OUTLIER -135.72 148.51 48.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 10.0 110.968 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 120.93 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.12 2.66 74.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.63 -0.795 . . . . 10.0 111.542 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.934 0 N-CA-C 110.722 -0.951 . . . . 10.0 110.722 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -115.39 138.39 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.927 0.394 . . . . 10.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -124.28 161.9 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.139 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.32 118.56 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.53 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.33 124.0 64.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 20.5 mtpp -105.49 131.62 52.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.007 0.432 . . . . 10.0 110.943 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -88.9 165.19 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.598 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.35 -21.84 65.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.866 0.365 . . . . 10.0 110.968 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.6 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.628 . . . . 10.0 111.446 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.47 4.13 34.94 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 87.1 tttt -84.68 142.91 29.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -117.77 114.12 22.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.764 0.316 . . . . 10.0 110.307 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.12 135.47 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.109 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.44 130.33 38.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 10.0 109.988 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.47 HD11 HG12 ' B' ' 30' ' ' ILE . 87.0 mt -124.8 145.06 49.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.05 0.453 . . . . 10.0 111.09 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -97.69 110.12 22.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.649 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.87 177.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.903 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.527 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -139.05 160.46 62.54 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -35.32 90.07 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.578 2.185 . . . . 10.0 113.312 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 7.42 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.176 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.39 163.04 28.25 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.082 0.468 . . . . 10.0 110.599 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -107.99 143.69 36.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.083 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.4 -42.43 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.595 0.236 . . . . 10.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.99 -39.6 82.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.695 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -65.55 -37.18 85.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.301 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 22' ' ' THR . 47.3 t -65.06 -39.42 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.044 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.47 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 1.9 mmmm -60.47 -39.58 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.892 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.52 87.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.638 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.93 -34.01 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.228 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.47 HG12 HD11 ' B' ' 15' ' ' LEU . 64.6 mt -71.71 -36.24 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.77 -28.73 64.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.041 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.71 -25.56 61.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.936 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -102.15 -60.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.88 -38.09 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 10.0 111.788 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.17 39.38 6.08 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.133 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -108.85 127.7 26.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 110.408 -0.219 . . . . 10.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.4 Cg_exo -52.79 136.57 59.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.863 2.376 . . . . 10.0 112.275 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.3 Cg_exo -59.83 -22.81 69.86 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.569 2.179 . . . . 10.0 112.437 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.63 -21.66 55.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.707 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -98.72 -8.62 25.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.96 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 73.5 mt-30 -86.33 111.47 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 10.0 112.074 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -111.78 92.17 3.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -80.46 118.54 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.177 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -118.14 126.96 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.105 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -117.76 110.09 17.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.644 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.32 30.01 19.47 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.248 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.33 -17.18 59.46 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.186 -0.53 . . . . 10.0 112.625 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -90.41 125.0 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 10.0 110.847 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.97 136.05 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.48 129.54 41.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.347 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.7 mt-10 -89.07 145.49 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.3 -41.13 83.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.29 42.35 3.08 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.887 -0.673 . . . . 10.0 113.347 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.2 mmt180 -137.15 159.97 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.2 p -101.95 168.71 9.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.2 mt -67.56 -32.72 73.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 10.0 110.672 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.87 -13.32 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.261 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.2 m-20 -67.54 -31.66 71.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.854 0.359 . . . . 10.0 111.112 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.3 m-85 -104.93 13.7 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.142 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.1 t30 62.68 30.39 16.88 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.831 0.707 . . . . 10.0 110.776 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.8 mt -77.47 123.22 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.75 -172.05 1.99 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -69.85 163.71 25.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.459 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 54.49 55.68 7.75 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.2 m -121.75 140.19 52.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.458 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -102.74 131.28 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.935 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.45 156.68 26.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.318 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -115.3 136.62 52.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.21 106.72 16.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.058 0.456 . . . . 10.0 111.138 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.97 124.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.471 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.4 mt -81.56 116.39 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.815 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -94.76 101.85 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.42 105.05 17.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.916 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -71.86 152.33 42.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.79 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.35 -53.83 0.43 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.7 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.981 -0.9 . . . . 10.0 111.517 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.339 -0.245 . . . . 10.0 110.339 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.76 31.18 9.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.228 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -35.55 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.229 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.25 -40.44 93.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.396 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.9 -31.97 65.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -59.79 -53.7 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.566 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.6 80.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 9.8 ttm -65.64 -38.44 89.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.19 81.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.17 -35.27 76.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.286 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' C' ' 467' ' ' MET . 20.1 tp60 -62.08 -43.21 99.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.94 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.51 -36.34 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.407 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.36 -28.08 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.512 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -74.67 -30.28 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.58 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 24.7 mmm -79.96 -43.42 22.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.812 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.469 ' O ' HG12 ' C' ' 471' ' ' VAL . 43.0 m-85 -123.2 96.55 44.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.15 12.79 2.84 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.38 2.054 . . . . 10.0 112.403 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.52 19.16 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.423 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.469 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.6 p -123.57 135.33 26.01 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 36.9 Cg_exo -62.9 127.8 21.39 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.42 2.08 . . . . 10.0 112.345 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.01 -43.79 63.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.488 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -63.8 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.436 HD13 HG23 ' C' ' 498' ' ' ILE . 22.5 mt -73.33 -34.6 65.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.2 -43.41 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.52 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 477' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 72.3 mt -62.24 -25.72 67.98 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.779 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -72.72 -47.61 45.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.8 t70 -63.13 -35.49 80.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.497 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.31 -19.92 62.34 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.297 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 481' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 54.8 mt-30 -86.79 -21.88 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 10.0 110.404 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.32 -55.17 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.683 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.7 p -83.63 -44.98 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.204 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 66.96 23.15 9.91 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.724 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 m -147.43 124.7 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.55 -23.67 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.009 0.433 . . . . 10.0 111.469 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -67.02 -16.06 64.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.131 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.712 HG12 HD11 ' A' ' 73' ' ' LEU . 2.8 mt -111.07 -39.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.663 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.423 HG23 ' HB3' ' C' ' 479' ' ' ASP . 26.2 m -58.37 -52.92 63.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.263 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 m -59.7 -39.51 84.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.942 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.07 -33.98 68.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.913 0.387 . . . . 10.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.56 -36.61 71.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.48 -40.25 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.24 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.64 -42.58 82.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.346 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.45 -29.98 70.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 106.84 30.02 4.42 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.162 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -77.96 -41.14 37.12 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.436 HG23 HD13 ' C' ' 475' ' ' LEU . 1.7 mp -82.33 136.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.847 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -72.94 107.6 5.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.015 0.436 . . . . 10.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.7 m -69.29 160.51 78.62 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.502 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.85 97.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.481 2.121 . . . . 10.0 112.095 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -103.75 121.81 46.84 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.829 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.63 123.24 12.32 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.305 2.003 . . . . 10.0 112.2 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.155 -0.926 . . . . 10.0 110.172 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -113.48 141.53 47.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 10.0 111.379 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -125.93 160.08 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.755 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -117.29 104.05 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.974 0.416 . . . . 10.0 110.994 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.25 134.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.755 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.86 135.83 53.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.922 0.392 . . . . 10.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.0 164.74 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.255 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.41 -21.31 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.909 0.385 . . . . 10.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -5.95 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.246 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.91 1.75 70.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -75.0 138.65 42.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 10.0 111.022 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -108.89 126.29 52.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.953 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -116.47 119.2 61.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.987 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.04 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.57 140.45 26.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 10.0 110.969 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.08 120.68 27.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.849 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.62 176.24 8.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' H ' ' HB2' ' A' ' 21' ' ' ASP . 5.7 mm-40 -138.49 162.13 55.02 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.91 -28.47 77.73 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.388 2.059 . . . . 10.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 5.98 47.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.761 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.6 t0 -74.21 143.64 45.07 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.876 0.37 . . . . 10.0 110.223 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.731 ' HB ' ' OE1' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -91.27 149.08 21.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.887 -179.46 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.0 -40.38 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.477 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.731 ' OE1' ' HB ' ' A' ' 22' ' ' THR . 8.9 pm0 -64.82 -32.15 73.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 65.2 t30 -69.01 -38.04 79.02 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' THR . 57.6 t -63.62 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -59.48 -42.7 92.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.582 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.49 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.827 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.52 -40.85 92.96 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.02 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -73.95 -37.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 10.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.34 -37.1 84.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.75 -24.15 31.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 10.0 111.293 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -82.94 -49.58 9.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.637 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.3 -38.81 9.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.672 0.249 . . . . 10.0 111.672 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 13.4 22.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.5 -0.857 . . . . 10.0 112.349 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.91 122.94 66.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -57.42 137.74 82.93 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.878 2.385 . . . . 10.0 112.364 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.1 Cg_exo -59.68 -25.91 80.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.076 2.517 . . . . 10.0 112.291 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.32 -22.27 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.504 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -109.17 10.05 25.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.079 0.466 . . . . 10.0 110.433 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -98.53 97.43 8.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -99.28 95.31 6.97 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.68 121.26 27.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.65 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG21 ' CE2' ' C' ' 468' ' ' PHE . 3.5 mp -132.53 127.3 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -122.57 115.6 22.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.313 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.42 37.12 27.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 10.0 112.089 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -14.64 63.78 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.93 -0.652 . . . . 10.0 113.923 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -101.88 127.78 48.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.104 0.452 . . . . 10.0 111.037 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.49 142.66 32.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.56 116.69 27.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 138.63 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.514 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.78 -8.76 54.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.71 11.51 61.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.731 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -124.23 178.01 5.56 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.513 -0.404 . . . . 10.0 110.896 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.0 p -115.95 175.83 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.48 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 86.3 mt -67.98 -28.14 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.875 0.369 . . . . 10.0 110.806 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.8 m -71.22 -22.71 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.29 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.02 -26.2 63.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.033 0.444 . . . . 10.0 111.301 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -105.25 8.14 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.942 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.84 37.5 18.55 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.65 0.594 . . . . 10.0 110.889 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.08 116.7 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -101.38 -160.44 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.803 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -80.54 155.79 26.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.47 16.76 10.02 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.343 0.402 . . . . 10.0 111.878 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 m -85.81 150.49 24.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.686 0.279 . . . . 10.0 110.499 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -97.33 136.32 37.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.51 106.36 11.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CB ' ' HB3' ' C' ' 467' ' ' MET . 43.9 m80 -83.56 130.11 34.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.054 0.454 . . . . 10.0 110.967 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.3 tp -109.33 125.96 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.539 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.39 136.73 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.618 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.23 145.76 27.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.302 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.4 OUTLIER -114.12 137.66 51.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.899 0.381 . . . . 10.0 110.606 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD12 HG13 ' C' ' 488' ' ' ILE . 18.3 mt -97.77 150.61 21.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.714 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -108.14 14.51 25.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.122 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.21 -162.41 35.64 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.483 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.228 -1.318 . . . . 10.0 111.563 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.4 ptt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -105.19 134.92 47.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.124 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.05 160.59 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.953 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -121.95 126.53 48.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.521 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -111.13 119.51 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -101.74 119.66 39.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 10.0 110.795 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 69' ' ' LEU . 26.5 p -85.88 170.94 11.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.737 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.525 HD11 HG13 ' B' ' 70' ' ' VAL . 71.7 mt -74.42 -10.09 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 0.29 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 36.75 26.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.1 -0.572 . . . . 10.0 111.985 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -122.45 133.43 54.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.99 140.17 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.565 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -103.58 127.16 51.05 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 30' ' ' ILE . 43.1 mt -130.7 146.02 52.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.872 0.368 . . . . 10.0 111.644 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -96.27 117.39 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.114 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 m -139.21 173.94 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.939 0.4 . . . . 10.0 110.904 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -131.23 158.8 74.21 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.534 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.93 -33.14 81.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.361 2.041 . . . . 10.0 112.673 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -91.44 19.82 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 112.053 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.95 140.56 29.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.7 OUTLIER -82.49 148.38 28.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.178 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.12 -36.95 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.223 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.11 -40.56 90.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.976 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -66.95 -36.0 81.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.871 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 87.4 t -62.98 -42.06 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.96 -37.77 85.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.816 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.27 73.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.755 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 97.1 mttt -72.62 -35.79 67.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.863 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.44 HG12 HD11 ' B' ' 15' ' ' LEU . 62.3 mt -72.04 -39.11 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.437 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 54.7 tt0 -63.03 -32.71 74.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -73.46 -25.81 60.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.822 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -97.07 -44.07 7.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.61 0.596 . . . . 10.0 112.61 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.6 -26.45 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.72 9.44 82.99 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.178 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.5 124.7 60.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 122.084 0.154 . . . . 10.0 110.683 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.8 Cg_exo -54.75 142.13 74.45 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.003 2.468 . . . . 10.0 112.615 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.93 -27.97 86.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.957 2.438 . . . . 10.0 112.762 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -65.81 -18.15 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -110.49 8.99 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.72 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.67 104.66 16.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.37 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -99.37 99.57 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.23 119.76 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.77 127.26 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.184 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -119.81 108.43 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.464 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.16 32.73 22.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.366 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.97 -19.45 54.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.875 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -85.26 130.98 34.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.607 0.242 . . . . 10.0 110.651 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.32 132.01 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.55 139.25 30.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.841 0.353 . . . . 10.0 111.782 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -95.81 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.56 -42.22 82.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 46.81 3.68 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.91 -0.662 . . . . 10.0 113.21 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -140.11 170.24 16.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.65 160.44 17.24 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.7 -37.02 84.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.132 0.492 . . . . 10.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -68.71 -26.27 65.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.333 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -25.51 66.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.478 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -103.1 17.45 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 61.11 31.88 19.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.464 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -88.96 136.07 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.79 0.329 . . . . 10.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.12 -168.92 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -70.71 162.92 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.056 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 57.4 mt-10 67.98 7.37 5.76 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.611 0.569 . . . . 10.0 111.633 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.3 m -100.42 133.21 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.886 0.374 . . . . 10.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -100.52 134.93 42.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.091 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -109.14 146.76 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.803 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -98.77 133.26 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 HG22 ' B' ' 7' ' ' THR . 47.5 tp -116.5 113.61 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.12 0.486 . . . . 10.0 111.138 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.525 HG13 HD11 ' B' ' 8' ' ' LEU . 69.5 t -103.46 140.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.809 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.37 132.68 36.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.748 0.308 . . . . 10.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -116.02 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.591 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.11 149.89 20.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 66.17 -165.2 0.23 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.726 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.24 32.87 24.57 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.338 -0.934 . . . . 10.0 111.791 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.513 -1.16 . . . . 10.0 111.139 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.518 0.199 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 56.01 29.05 13.71 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.732 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.9 m -64.94 -33.54 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.372 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -68.75 -35.1 76.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 10.0 110.103 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 69.0 mt -73.47 -40.81 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.847 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -60.24 -47.09 87.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.03 -37.58 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.59 -42.74 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.723 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.08 86.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.717 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -57.13 -39.0 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.738 -0.664 . . . . 10.0 111.173 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -71.73 -39.89 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.494 HD11 HG12 ' C' ' 486' ' ' VAL . 91.8 mt -63.8 -31.49 53.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.35 -13.55 40.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.587 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -78.61 -53.81 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.491 0.186 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.477 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -70.49 -30.75 67.61 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.001 0.429 . . . . 10.0 110.341 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.506 ' O ' HG12 ' C' ' 471' ' ' VAL . 9.3 m-85 -125.93 78.38 69.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.916 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -84.72 9.95 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.365 2.043 . . . . 10.0 112.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -107.74 9.72 29.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.258 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.506 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -114.68 133.03 22.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.587 -0.278 . . . . 10.0 110.657 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -56.68 126.85 23.61 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.732 2.288 . . . . 10.0 112.241 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.44 -41.76 69.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.406 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -63.44 -28.07 69.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.633 0.254 . . . . 10.0 111.597 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 41.6 mt -79.02 -35.0 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.97 -42.18 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.21 -27.46 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.778 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -67.47 -49.13 64.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.33 -38.43 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 10.0 110.49 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -27.77 63.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.426 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.05 -3.98 59.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.231 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -112.2 -52.82 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -79.39 -40.55 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.354 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 63.13 37.23 11.58 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.17 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -160.49 129.35 4.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 10.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.494 HG12 HD11 ' C' ' 464' ' ' ILE . 3.1 m -67.49 -27.93 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.928 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -76.8 5.14 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.483 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 73' ' ' LEU . 29.0 mt -122.61 -42.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.416 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -75.24 -8.07 55.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 10.0 111.594 -179.229 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.532 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 18.9 t70 -95.12 -61.05 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -26.27 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.907 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.447 HD12 HD12 ' C' ' 498' ' ' ILE . 8.1 tt -65.96 -20.35 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.61 0.243 . . . . 10.0 111.267 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -21.09 60.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 10.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -108.86 -36.43 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.649 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 150.38 116.42 0.77 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.071 -1.062 . . . . 10.0 113.185 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -167.21 -59.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.136 0.493 . . . . 10.0 109.725 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.447 HD12 HD12 ' C' ' 493' ' ' ILE . 70.7 mt -93.87 138.23 20.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.145 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.08 136.43 43.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 21.7 m -86.79 158.8 53.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 108.72 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.518 2.145 . . . . 10.0 112.149 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 502' ' ' PHE . . . . . 0.419 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 85.3 t80 -116.76 133.9 23.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.275 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 503' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 21.0 Cg_endo -62.43 113.29 1.87 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.635 2.223 . . . . 10.0 111.84 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.256 1.397 0 CA-C-O 117.919 -1.038 . . . . 10.0 109.601 -179.68 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -112.13 144.5 41.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.057 0.456 . . . . 10.0 111.456 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -131.7 172.15 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.125 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.0 m-85 -122.79 117.15 25.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.108 0.48 . . . . 10.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.32 115.53 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -96.48 133.96 40.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 10.0 110.826 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.73 164.62 12.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.581 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' HB ' ' C' ' 486' ' ' VAL . 4.8 mt -66.25 -7.17 16.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.917 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -2.01 55.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.154 0.502 . . . . 10.0 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.54 -23.55 35.39 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.355 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.51 140.48 58.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.014 0.435 . . . . 10.0 111.185 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.36 118.28 32.29 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.24 127.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -93.8 110.26 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.88 148.38 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.784 0.326 . . . . 10.0 111.294 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -111.59 103.47 11.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.822 -0.806 . . . . 10.0 108.822 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.57 171.85 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.153 0.502 . . . . 10.0 111.336 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -113.01 159.26 35.31 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.549 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.19 -15.55 40.62 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 122.392 2.061 . . . . 10.0 112.583 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -91.23 -4.03 56.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.491 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.3 132.5 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.705 0.288 . . . . 10.0 110.726 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -83.1 155.32 23.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.131 178.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 47.4 mm -56.54 -38.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.721 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.7 97.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.84 -31.88 72.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.144 0.497 . . . . 10.0 110.18 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 88.8 t -66.8 -45.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 17.5 mtmt -64.21 -33.37 75.64 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.123 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.0 92.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.404 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -63.81 -39.05 93.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.83 -37.47 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.96 -37.85 87.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.52 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.04 -12.95 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.039 0.447 . . . . 10.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -104.75 -73.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.04 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.66 -36.68 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.275 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 29.3 11.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.112 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -104.35 126.72 30.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.11 151.54 58.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.65 2.233 . . . . 10.0 112.414 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 60.9 Cg_endo -72.15 -14.34 28.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.74 2.294 . . . . 10.0 112.579 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.01 -42.45 84.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.277 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -98.67 17.34 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.958 -178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 11.5 mt-30 -104.42 96.9 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.074 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -104.31 109.15 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -90.33 125.65 35.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 10.0 111.335 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.77 138.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.554 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' A' ' 50' ' ' LEU . 66.2 t80 -138.45 121.15 16.34 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.91 25.02 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.493 0.496 . . . . 10.0 111.578 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.43 66.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.885 -0.674 . . . . 10.0 113.547 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -127.34 142.11 51.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.444 -0.445 . . . . 10.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.68 144.79 35.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.94 0.4 . . . . 10.0 111.003 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 45' ' ' PHE . 13.9 mt -96.97 143.2 28.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.825 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 48.3 mt-10 -95.62 145.98 24.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -60.31 -34.38 73.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.903 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.08 29.39 4.27 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.737 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.1 mmt180 -128.01 163.94 23.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.154 0.477 . . . . 10.0 110.072 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.8 p -106.83 172.68 6.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.547 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.99 -30.05 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.263 0.554 . . . . 10.0 109.676 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -69.01 -26.85 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.93 -41.01 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.26 13.53 31.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.66 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 57.2 36.16 27.1 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.516 0.51 . . . . 10.0 111.242 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.29 112.22 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -97.6 -163.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.356 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.56 154.0 32.79 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.168 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.21 14.01 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.683 0.614 . . . . 10.0 112.093 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -77.29 143.1 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.907 -0.317 . . . . 10.0 110.273 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.2 m -98.26 118.52 35.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.897 0.379 . . . . 10.0 110.937 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.81 146.38 30.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.702 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -105.74 135.1 47.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.596 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 HG23 ' A' ' 7' ' ' THR . 53.5 tp -113.05 104.74 12.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.179 0.514 . . . . 10.0 110.855 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.88 135.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 8' ' ' LEU . 39.0 mt -89.52 159.49 17.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.052 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.514 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.8 ttt180 -138.37 148.26 44.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.927 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD12 ' CG1' ' C' ' 488' ' ' ILE . 73.0 mt -135.43 138.24 43.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.62 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.79 7.95 3.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 10.0 110.712 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.03 -175.53 30.06 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 CA-C-O 118.416 -1.213 . . . . 10.0 111.998 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -100.71 139.12 36.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.125 0.488 . . . . 10.0 111.256 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.46 165.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.724 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.8 m-85 -116.96 113.55 22.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.771 0.319 . . . . 10.0 111.216 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.82 116.43 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -102.44 133.93 46.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 10.0 111.22 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 p -93.17 169.87 10.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.2 -33.28 74.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.715 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -31.35 70.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.464 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.74 -10.47 9.02 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.66 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.2 123.75 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.737 0.303 . . . . 10.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -103.51 124.51 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.78 131.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.694 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.35 136.95 32.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.519 HD11 HG12 ' B' ' 30' ' ' ILE . 45.6 mt -135.29 146.18 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 10.0 111.557 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -92.4 116.69 29.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.492 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.76 166.34 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.639 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 50.7 mm-40 -124.44 161.87 45.51 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 -24.03 65.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.281 1.988 . . . . 10.0 112.631 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.32 14.55 23.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.457 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -81.91 135.26 35.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 10.0 110.715 -179.741 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.9 OUTLIER -86.58 148.95 25.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.138 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.31 -36.26 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.55 . . . . 10.0 110.445 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.07 -38.83 90.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -71.88 -37.62 70.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.081 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -62.0 -42.38 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.111 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -65.36 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.439 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.79 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.224 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 32.5 mttt -69.35 -37.08 77.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.519 HG12 HD11 ' B' ' 15' ' ' LEU . 37.9 mt -71.67 -31.07 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 10.0 109.584 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 41.9 tt0 -67.11 -26.62 66.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.257 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.94 -28.36 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.011 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -88.35 -54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -91.82 -30.97 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.731 0.271 . . . . 10.0 111.731 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.1 23.3 32.73 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.779 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.17 125.72 55.55 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.852 -0.205 . . . . 10.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -56.26 138.6 83.99 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.762 2.308 . . . . 10.0 112.151 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -59.9 -20.3 59.1 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.145 2.563 . . . . 10.0 113.56 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -18.48 47.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 10.0 110.816 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.434 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.6 mt-30 -104.94 0.17 27.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.977 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -94.0 115.11 27.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.548 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -119.71 102.88 8.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.796 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.71 124.78 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.046 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.92 131.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.544 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.3 t80 -125.01 115.33 20.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.79 28.85 18.58 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.516 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.63 76.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.842 -0.694 . . . . 10.0 112.652 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -96.68 131.38 43.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.818 0.342 . . . . 10.0 110.71 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -79.09 126.5 30.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.103 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.1 mt -83.41 137.15 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.854 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.02 147.48 26.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.26 -50.48 69.39 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.563 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.78 39.26 1.98 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.392 -0.432 . . . . 10.0 113.938 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -139.1 161.16 38.07 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -107.97 170.28 8.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.857 0.36 . . . . 10.0 110.872 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.675 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -28.81 68.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.255 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -62.84 -33.46 75.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.128 0.49 . . . . 10.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -102.56 13.47 34.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.522 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 59.05 32.7 22.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.496 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.28 115.75 23.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.966 0.412 . . . . 10.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.64 -167.62 1.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.009 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 56.4 pttt -77.66 155.37 31.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 69.58 12.62 8.19 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.68 0.613 . . . . 10.0 111.822 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 m -78.88 140.54 38.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 10.0 110.821 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.4 m -99.35 122.22 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.446 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -107.3 144.52 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.917 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -102.1 127.05 49.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.482 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.1 tp -106.44 112.47 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.181 0.515 . . . . 10.0 111.016 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.76 125.86 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.772 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.86 125.69 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.138 0.494 . . . . 10.0 111.169 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 51.6 ttt180 -98.97 100.24 11.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.167 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.942 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -141.67 79.33 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.13 0.491 . . . . 10.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.05 -163.66 33.92 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.614 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 118.659 -1.079 . . . . 10.0 112.132 179.656 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.67 0.271 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.62 33.82 18.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.178 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -49.13 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -62.37 -38.37 89.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 10.0 110.588 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.96 -40.39 87.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.394 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -65.96 -44.65 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.379 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.958 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 460' ' ' MET . . . . . 0.402 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 31.5 mtm -66.39 -37.88 86.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.425 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.82 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.451 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -60.37 -38.66 84.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.474 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 463' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' C' ' 463' ' ' GLN . 0.6 OUTLIER -62.66 -36.11 81.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 110.288 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.49 ' HA ' ' HE2' ' C' ' 467' ' ' MET . 70.7 mt -70.28 -35.45 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.609 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -64.4 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.776 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.74 -24.16 59.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 467' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' C' ' 464' ' ' ILE . 47.8 mtm -91.55 -44.5 9.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 10.0 110.256 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -123.9 78.94 57.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.285 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.49 8.62 2.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.293 1.995 . . . . 10.0 112.615 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.71 -19.78 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.458 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.35 130.28 34.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.395 -0.224 . . . . 10.0 110.395 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.52 128.36 27.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.871 2.38 . . . . 10.0 112.931 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.84 -43.03 63.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -63.75 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.573 0.225 . . . . 10.0 111.495 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 22.7 mt -74.38 -32.53 62.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.9 -41.03 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.277 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.57 -29.93 70.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.871 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -57.56 -56.12 26.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.647 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.2 t70 -67.92 -31.11 70.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.054 0.454 . . . . 10.0 110.343 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.5 OUTLIER -65.71 -13.38 59.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.887 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.11 -24.41 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 10.0 110.062 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.54 -58.55 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.953 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.8 p -87.26 -37.47 17.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.422 . . . . 10.0 109.882 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 484' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 10.0 mtt180 63.44 27.7 15.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.121 -0.945 . . . . 10.0 111.701 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.49 126.97 16.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.79 0.329 . . . . 10.0 111.212 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.433 ' HB ' HD22 ' A' ' 8' ' ' LEU . 22.2 m -64.21 -26.1 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.343 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.37 -3.28 36.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.414 ' CG1' HD12 ' A' ' 73' ' ' LEU . 48.0 mt -119.12 -45.25 2.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.884 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.647 HG23 ' HB3' ' C' ' 479' ' ' ASP . 53.1 m -55.51 -62.56 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.719 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -39.39 85.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.246 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.514 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 25.2 t0 -62.72 -50.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.79 -45.96 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.706 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.34 -42.24 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.08 -19.74 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -101.76 -18.67 15.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.004 0.43 . . . . 10.0 110.741 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 98.38 2.47 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 497' ' ' ARG . . . . . 0.428 ' HB3' HD12 ' C' ' 498' ' ' ILE . 1.6 tpp180 -148.62 -46.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.039 0.447 . . . . 10.0 110.103 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' C' ' 497' ' ' ARG . 3.7 mp -93.76 141.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -59.05 136.6 58.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 10.0 111.614 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 500' ' ' VAL . . . . . 0.407 ' HB ' ' CD ' ' C' ' 501' ' ' PRO . 33.0 m -92.17 169.19 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 501' ' ' PRO . . . . . 0.407 ' CD ' ' HB ' ' C' ' 500' ' ' VAL . 17.1 Cg_exo -67.53 81.9 0.42 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.397 2.065 . . . . 10.0 112.104 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -86.72 130.1 50.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.252 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 104.14 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.515 2.143 . . . . 10.0 111.892 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.173 -0.918 . . . . 10.0 110.065 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.705 -0.479 . . . . 10.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -103.8 137.59 41.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.861 0.362 . . . . 10.0 110.913 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.03 162.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.23 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -115.4 133.44 56.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.48 117.88 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -90.19 141.43 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.087 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -117.13 166.65 11.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.728 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.73 -7.27 51.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.24 -9.48 38.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.78 0.324 . . . . 10.0 111.156 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.2 17.87 41.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.841 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -104.84 128.2 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.814 0.34 . . . . 10.0 110.744 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.22 108.89 21.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 10.0 110.138 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mt -89.68 151.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.393 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 129.09 49.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.395 -0.595 . . . . 10.0 109.395 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -137.04 156.2 48.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 10.0 111.192 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -100.49 120.79 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.413 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.2 m -140.72 177.37 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.91 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.8 mm-40 -135.75 158.85 73.28 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.98 -34.87 58.53 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.789 2.326 . . . . 10.0 113.621 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 m -85.8 10.66 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.11 149.07 33.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.4 145.06 24.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.847 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.28 -40.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.23 -36.72 80.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.013 0.435 . . . . 10.0 110.11 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.6 t30 -67.23 -37.28 83.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.791 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.42 -39.85 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.16 -41.04 97.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.215 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.81 82.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.959 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 80.0 mttt -67.96 -33.97 75.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.21 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.86 -38.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.525 0.679 . . . . 10.0 109.25 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.33 -52.33 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.066 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -81.85 48.32 1.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.745 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -161.91 -58.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.482 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.16 -27.69 19.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.64 49.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.799 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.9 mt -95.62 121.16 62.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 27.2 Cg_exo -61.25 137.76 72.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.687 2.258 . . . . 10.0 112.052 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.51 -23.8 33.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.284 2.656 . . . . 10.0 112.88 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.45 -30.98 71.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.072 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.43 -4.81 33.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.686 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -84.91 102.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.28 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.45 ' CZ ' HD22 ' C' ' 494' ' ' LEU . 12.4 ttt180 -104.19 87.47 2.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.69 125.38 26.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.405 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.79 141.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.958 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -137.14 116.35 12.58 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 22.38 13.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.543 0.527 . . . . 10.0 111.378 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' HE22 ' C' ' 470' ' ' GLN . . . 91.97 11.23 60.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 10.0 113.272 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -126.08 146.45 49.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.21 147.7 28.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.96 0.41 . . . . 10.0 111.389 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -97.6 134.56 40.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.299 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -84.91 136.62 33.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.738 0.304 . . . . 10.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.79 -39.35 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.921 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.26 39.01 2.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.323 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -135.33 162.76 31.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 63.7 p -108.79 168.89 9.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.261 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.8 mt -63.94 -34.13 77.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 10.0 110.389 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -22.59 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.142 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -65.03 -41.87 94.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.993 0.425 . . . . 10.0 110.554 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.37 8.36 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.512 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 t30 63.41 32.01 14.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 10.0 111.126 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -75.72 124.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.997 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.13 -163.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.987 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -68.35 149.54 49.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.249 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 71.61 2.41 4.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.737 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -68.55 135.25 51.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.802 0.334 . . . . 10.0 110.395 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -101.68 115.34 30.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.097 0.475 . . . . 10.0 110.951 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -94.03 149.29 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.663 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -112.54 121.53 45.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.679 0.276 . . . . 10.0 110.521 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.9 tp -97.39 103.51 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.462 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.68 129.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.454 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -89.85 119.95 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -120.69 126.07 49.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.517 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.529 HD11 HG12 ' C' ' 488' ' ' ILE . 0.9 OUTLIER -95.66 178.77 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.376 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -118.49 19.45 13.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.179 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.61 131.3 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.678 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.795 -1.003 . . . . 10.0 111.47 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.872 0.367 . . . . 10.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -99.41 135.4 40.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.414 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.09 156.83 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.934 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.4 m-85 -115.72 112.32 21.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.38 109.87 26.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.301 -0.409 . . . . 10.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -99.01 125.23 44.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 10.0 110.987 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.48 162.08 16.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.621 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -56.28 -28.28 58.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.701 0.286 . . . . 10.0 111.6 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -10.95 60.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.924 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.71 -24.05 29.57 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.372 -0.691 . . . . 10.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -56.82 124.94 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.197 -0.501 . . . . 10.0 110.99 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -110.7 111.69 23.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -95.09 132.82 38.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.183 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -98.88 119.59 37.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -123.13 151.73 41.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.001 0.429 . . . . 10.0 110.968 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -105.57 119.77 39.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.57 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.3 m -138.17 172.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.93 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -126.01 158.43 66.0 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.35 -28.41 53.24 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.395 2.064 . . . . 10.0 112.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.15 10.4 14.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.977 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.36 142.31 27.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.4 p -92.87 153.42 18.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.772 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 47.8 mm -58.68 -39.17 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.458 . . . . 10.0 109.82 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.82 -37.46 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.656 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -73.57 -38.03 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.437 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.03 -43.05 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.439 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 44.5 mtpt -62.43 -33.75 75.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.087 0.47 . . . . 10.0 110.606 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.62 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.44 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -72.63 -36.74 68.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.211 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.25 -36.48 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.36 0.6 . . . . 10.0 109.385 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -68.17 -29.12 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.339 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.0 -43.0 36.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -86.37 -51.73 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.69 0.281 . . . . 10.0 111.603 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.05 10.36 14.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.49 -0.862 . . . . 10.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -88.13 122.24 70.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 55.0 Cg_exo -52.08 140.56 49.97 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.187 2.591 . . . . 10.0 112.291 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.4 Cg_exo -57.16 -35.21 98.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.874 2.383 . . . . 10.0 112.781 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -29.28 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 10.0 111.052 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.55 2.21 54.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.943 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -99.13 123.77 43.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.291 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -119.34 100.95 7.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -89.58 121.64 31.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.94 134.82 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.741 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 65.8 t80 -132.49 118.15 18.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.043 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 22.29 13.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.18 -19.54 51.12 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.659 -0.781 . . . . 10.0 113.369 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 25.3 pttt -97.3 138.53 34.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.175 0.487 . . . . 10.0 110.62 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.32 134.58 35.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.9 mt -88.43 132.52 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.181 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.98 148.96 25.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.599 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.27 -40.12 95.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.595 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.45 3.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.114 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 24.8 mmt180 -138.26 160.49 39.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.8 p -104.22 165.5 11.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.256 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.6 mt -65.8 -31.22 72.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.062 0.458 . . . . 10.0 110.287 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -22.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.815 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -70.16 -27.39 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 10.0 111.242 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.419 ' CD2' HD22 ' B' ' 50' ' ' LEU . 85.5 m-85 -106.8 7.11 30.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.53 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 61.87 40.08 13.01 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.797 0.686 . . . . 10.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.8 mt -81.76 115.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.841 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.26 -164.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.673 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 151.63 38.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.741 -0.209 . . . . 10.0 110.493 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 70.66 6.58 5.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.197 0.599 . . . . 10.0 112.016 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -66.43 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 10.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.7 m -101.03 115.42 30.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.561 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -103.23 147.34 27.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.89 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.3 128.67 47.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.268 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 tp -106.16 104.13 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 10.0 110.72 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.59 141.39 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.76 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.24 140.55 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 10.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 72' ' ' ARG . 23.7 ttt180 -125.1 100.94 6.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.656 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 34.8 mt -105.94 107.95 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.021 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 47.03 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 10.0 110.709 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.46 52.31 40.78 Favored Glycine 0 C--O 1.228 -0.24 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.351 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.922 -0.932 . . . . 10.0 111.411 -179.854 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.29 0.09 . . . . 10.0 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 454' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' C' ' 457' ' ' LEU . 0.9 OUTLIER 61.45 23.95 14.13 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.344 0.403 . . . . 10.0 111.653 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -45.14 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.2 72.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.056 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 457' ' ' LEU . . . . . 0.439 HD12 ' OD1' ' C' ' 454' ' ' ASN . 22.0 mt -66.62 -39.36 88.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.18 -39.69 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.849 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.67 91.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.826 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 30.6 mtm -68.49 -38.68 81.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.514 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.02 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.546 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -60.43 -44.35 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.683 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -64.28 -35.24 80.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.907 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.481 HD11 HG12 ' C' ' 486' ' ' VAL . 71.6 mt -68.1 -36.55 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -62.9 -29.74 71.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.355 0.598 . . . . 10.0 110.046 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -68.12 -33.91 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 10.0 111.106 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 2.5 mmm -83.45 -42.36 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.53 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.497 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.23 92.39 42.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.552 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.3 10.75 3.1 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.394 2.063 . . . . 10.0 113.5 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 470' ' ' GLN . . . . . 0.442 HE22 ' HA3' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -115.41 17.67 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 10.0 111.421 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.497 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.8 p -119.93 128.43 25.87 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 472' ' ' PRO . . . . . 0.514 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.8 Cg_exo -59.73 132.6 46.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 10.0 112.523 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.26 -44.63 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.885 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -63.58 -31.53 72.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.514 HD12 ' HG2' ' C' ' 472' ' ' PRO . 21.9 mt -74.02 -30.64 62.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.887 0.375 . . . . 10.0 110.071 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 476' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.4 t -71.07 -42.25 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.76 -31.17 71.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.429 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -61.02 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.409 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.6 t70 -71.63 -37.68 70.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 480' ' ' LEU . . . . . 0.439 HD12 HD22 ' C' ' 457' ' ' LEU . 0.2 OUTLIER -57.12 -36.78 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.11 179.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -88.21 0.99 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.008 0.432 . . . . 10.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -54.33 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.4 p -89.82 -35.47 15.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.434 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 65.07 28.25 12.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.743 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.4 t -147.44 118.05 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.361 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.481 HG12 HD11 ' C' ' 464' ' ' ILE . 17.5 m -61.77 -27.37 42.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.918 0.39 . . . . 10.0 110.929 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.78 -25.84 65.8 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.838 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 488' ' ' ILE . . . . . 0.529 HG12 HD11 ' A' ' 73' ' ' LEU . 33.4 mt -96.22 -40.85 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.126 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.524 HG23 ' HB3' ' C' ' 479' ' ' ASP . 85.5 m -57.31 -55.19 37.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.487 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -29.59 70.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.731 0.301 . . . . 10.0 110.607 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.17 -40.18 74.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 10.0 109.945 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.336 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 44.0 mt -78.25 -37.47 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 10.0 109.978 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.45 HD22 ' CZ ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -65.5 -45.24 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.426 -0.806 . . . . 10.0 111.298 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -80.07 -70.35 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.557 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 496' ' ' GLY . . . . . 0.427 ' O ' ' HD3' ' C' ' 497' ' ' ARG . . . 160.67 89.02 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.348 -0.929 . . . . 10.0 112.703 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 497' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' C' ' 496' ' ' GLY . 0.9 OUTLIER -136.86 -46.5 0.59 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.816 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 498' ' ' ILE . . . . . 0.436 HG23 HD13 ' C' ' 475' ' ' LEU . 2.0 mp -83.59 126.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.32 124.7 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.964 0.411 . . . . 10.0 111.039 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.4 m -79.01 163.05 62.2 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.12 90.67 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.587 2.191 . . . . 10.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -89.35 132.03 38.65 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.939 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.19 114.29 2.13 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.998 2.465 . . . . 10.0 112.66 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.252 1.222 0 CA-C-O 117.884 -1.055 . . . . 10.0 109.203 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.3 ptt? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -94.29 135.88 35.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.889 0.376 . . . . 10.0 111.101 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -121.03 163.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.053 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -119.59 116.41 25.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.17 116.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.47 140.09 29.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.816 0.341 . . . . 10.0 110.085 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.0 p -115.6 168.2 10.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.52 -10.19 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.45 1.52 57.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.684 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 7.08 87.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.271 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -92.11 142.42 27.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.01 0.405 . . . . 10.0 110.513 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -108.83 108.09 18.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.955 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.25 125.13 41.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.594 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -100.94 131.52 46.78 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.67 151.44 48.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 10.0 111.516 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.38 112.43 24.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 1' ' ' MET . 18.2 m -132.18 162.28 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.1 mm-40 -121.81 155.26 60.51 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -50.78 -34.15 43.49 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 122.381 2.054 . . . . 10.0 113.465 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -84.27 5.6 26.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.14 154.49 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.004 0.431 . . . . 10.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 143.93 29.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.659 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.61 -39.69 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 10.0 110.478 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.33 -38.6 80.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.652 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -67.79 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.93 -40.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.603 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.75 -37.81 85.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.858 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.61 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.491 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.04 -40.54 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.019 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -67.03 -38.44 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.78 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -65.91 -35.88 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.016 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.28 -34.16 70.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.177 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -83.55 -53.27 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -85.08 -52.35 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.15 5.5 17.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.525 -0.845 . . . . 10.0 111.891 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.13 123.35 68.84 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.6 143.76 87.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.617 2.211 . . . . 10.0 112.19 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.1 Cg_exo -57.73 -24.45 63.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 10.0 112.656 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.15 -30.64 69.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.442 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -103.73 15.74 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.091 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.37 101.95 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 10.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' HD22 ' C' ' 494' ' ' LEU . 35.2 mtt180 -104.57 91.89 4.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.316 0.579 . . . . 10.0 109.489 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -77.79 127.7 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.954 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.22 137.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.195 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB3' HD21 ' A' ' 50' ' ' LEU . 84.1 t80 -137.43 122.46 19.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.36 27.04 16.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.31 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -7.99 80.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.119 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -104.58 145.52 30.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.2 143.18 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.2 mt -92.56 139.45 30.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.754 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 143.81 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 10.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.93 -26.08 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.09 11.37 65.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.733 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -119.26 164.65 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.128 0.464 . . . . 10.0 110.718 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -105.89 179.48 4.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.735 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.1 mt -69.21 -37.21 77.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 10.0 111.476 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -15.82 63.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.39 -22.52 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -114.91 9.15 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.47 36.37 17.2 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.483 -0.78 . . . . 10.0 111.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.33 110.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.12 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -96.48 -172.83 2.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.768 0.318 . . . . 10.0 111.523 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 64.95 15.44 9.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.82 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 153.49 38.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.719 0.295 . . . . 10.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.7 m -102.87 119.98 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 10.0 111.238 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.63 141.18 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -104.49 121.43 43.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.968 0.413 . . . . 10.0 110.971 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -97.48 98.9 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 10.0 110.208 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.9 t -87.02 128.43 39.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 30.1 mt -78.78 159.08 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -137.6 141.65 41.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.71 -178.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mp -146.3 144.88 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.679 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -107.09 20.52 18.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.158 0.504 . . . . 10.0 109.824 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.18 173.75 14.41 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.496 -1.169 . . . . 10.0 111.922 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -115.62 137.38 52.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.957 0.408 . . . . 10.0 111.199 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -123.45 169.09 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.668 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -121.97 133.83 54.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.742 0.306 . . . . 10.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.4 117.05 53.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.738 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -97.42 132.62 42.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.028 0.442 . . . . 10.0 110.465 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 1.2 p -99.52 170.34 8.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.607 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.6 -14.5 62.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.382 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -7.5 58.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.813 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.74 9.98 63.68 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.02 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.447 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 82.9 tttt -87.0 127.34 35.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.294 . . . . 10.0 110.701 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -105.02 103.64 13.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.34 143.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.215 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -104.07 132.16 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -133.19 145.89 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 10.0 111.669 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -91.7 122.12 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.732 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.6 m -142.72 170.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.661 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.8 mm-40 -131.09 163.72 47.21 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.93 -33.71 89.79 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 121.963 1.775 . . . . 10.0 112.037 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.25 9.75 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.136 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.582 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -76.55 128.93 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 10.0 110.523 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.11 145.3 35.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.18 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.42 -38.47 63.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.221 0.534 . . . . 10.0 109.736 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.95 -34.13 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.79 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.4 -35.43 73.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.303 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.694 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.3 mmmm -62.51 -38.23 89.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.83 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . . . -69.43 -30.18 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.64 -36.39 65.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.115 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -71.8 -39.26 67.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.14 -25.43 66.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.392 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.09 -46.88 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.101 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -79.37 -46.82 16.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -89.96 -41.74 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.127 0.788 . . . . 10.0 113.127 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.43 41.42 5.77 Favored Glycine 0 C--N 1.322 -0.226 0 C-N-CA 120.205 -0.997 . . . . 10.0 111.527 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.74 129.27 24.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.93 126.54 18.93 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.743 2.295 . . . . 10.0 112.386 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -54.43 -28.43 54.09 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.899 2.399 . . . . 10.0 113.227 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -14.97 62.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.344 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -105.18 -3.33 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.01 0.433 . . . . 10.0 110.542 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.511 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 77.9 mt-30 -89.66 106.58 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.168 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -109.79 102.26 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.7 122.8 31.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.337 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.68 128.0 75.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.428 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -105.2 100.5 10.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.969 0.414 . . . . 10.0 111.179 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.77 18.53 4.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.725 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.32 -27.7 6.0 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.201 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -88.73 116.74 27.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 10.0 110.41 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.29 135.6 52.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.216 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -92.13 129.46 38.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.281 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -94.73 134.14 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.667 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.87 -34.22 40.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 19.52 10.42 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.178 -0.534 . . . . 10.0 113.726 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -124.83 167.71 14.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.097 0.449 . . . . 10.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.47 162.61 14.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.009 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.25 -36.76 83.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 10.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.473 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.3 -41.8 96.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -89.15 4.15 49.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.013 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 61.38 31.56 19.17 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.094 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.13 113.34 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.066 0.46 . . . . 10.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.99 -170.12 1.59 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.622 -0.717 . . . . 10.0 109.196 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 12.2 pttp -69.75 166.19 19.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.8 mp0 77.13 -27.26 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.697 0.623 . . . . 10.0 111.343 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -62.54 133.54 55.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 10.0 111.289 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.0 m -104.71 127.42 52.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.678 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.47 141.68 31.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.783 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.74 120.06 37.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -102.39 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.005 0.431 . . . . 10.0 111.294 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.82 123.85 56.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.811 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 mt -91.25 115.84 28.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.916 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.478 ' NH1' ' HD3' ' B' ' 74' ' ' ARG . 30.2 ttt180 -90.61 88.09 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 10.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.53 115.09 26.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.478 ' HD3' ' NH1' ' B' ' 72' ' ' ARG . 40.2 mtm180 -109.27 161.62 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.208 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.53 -176.46 18.22 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.041 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.375 -1.236 . . . . 10.0 112.015 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.49 0.186 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 66.89 16.36 10.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 10.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -67.89 -38.78 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.125 0.488 . . . . 10.0 110.237 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.52 -40.99 89.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -62.47 -45.69 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.36 81.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.3 mtm -62.08 -37.41 84.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.26 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.964 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.4 -33.93 77.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.865 0.364 . . . . 10.0 110.043 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.54 -37.24 86.56 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 72.6 mt -72.5 -38.52 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.89 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.5 -33.31 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.6 -21.92 61.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.458 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 56.0 mmm -91.04 -43.34 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.748 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.442 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.5 OUTLIER -120.92 82.63 36.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.794 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.97 43.76 1.54 Allowed 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.937 2.425 . . . . 10.0 112.578 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -146.94 17.61 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.475 . . . . 10.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.442 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.5 p -123.22 135.66 26.21 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.575 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 129.49 32.3 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.202 1.935 . . . . 10.0 111.778 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -54.89 -43.36 73.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 10.0 112.018 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -65.83 -27.19 68.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.67 0.272 . . . . 10.0 111.581 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.09 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.919 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.38 -38.56 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.796 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -61.53 -49.22 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.279 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.77 -34.17 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.878 -0.329 . . . . 10.0 110.887 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -30.47 69.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 10.0 110.74 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -81.39 -10.2 59.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 10.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.41 -56.6 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.44 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.4 p -80.01 -39.23 30.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.333 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 65.12 28.74 12.22 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 12.5 t -150.34 120.79 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.904 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.53 -26.36 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.95 -22.44 63.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.15 -34.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.706 -0.225 . . . . 10.0 111.509 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.4 ' O ' HG13 ' C' ' 493' ' ' ILE . 86.8 m -62.63 -60.08 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.694 0.257 . . . . 10.0 111.694 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -34.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.504 0.669 . . . . 10.0 111.046 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 17.8 t0 -70.05 -49.37 51.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.947 -1.024 . . . . 10.0 111.68 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -53.88 -28.38 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.769 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.4 HG13 ' O ' ' C' ' 489' ' ' THR . 77.4 mt -64.62 -39.43 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 10.0 110.389 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 494' ' ' LEU . . . . . 0.504 HD22 ' HD3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.27 -45.51 39.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.81 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.27 21.1 2.86 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.942 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -73.44 -29.07 62.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.34 0.59 . . . . 10.0 109.973 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.89 133.19 51.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.111 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.5 122.63 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 10.0 110.717 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 19.1 m -83.59 158.07 63.43 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.64 94.77 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.551 2.167 . . . . 10.0 111.695 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -122.48 137.25 27.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.068 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.46 132.0 45.97 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.617 2.211 . . . . 10.0 112.072 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.903 -1.046 . . . . 10.0 109.397 -179.644 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.985 0.421 . . . . 10.0 110.06 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -93.64 140.18 29.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.309 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.5 165.64 27.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.004 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' THR . 56.8 m-85 -116.77 114.88 24.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.651 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.98 115.32 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -96.05 137.65 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.847 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -113.4 172.04 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD22 ' HB ' ' C' ' 486' ' ' VAL . 35.1 mt -64.77 -17.99 64.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.056 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 p -89.64 0.34 57.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 10.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 -5.49 84.8 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.135 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HE3' HG12 ' A' ' 13' ' ' ILE . 61.2 tttp -71.24 134.67 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.748 0.309 . . . . 10.0 110.521 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -113.86 109.78 19.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.232 0.539 . . . . 10.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.461 HG12 ' HE3' ' A' ' 11' ' ' LYS . 6.1 mt -88.86 138.3 19.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.285 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.91 120.02 40.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.742 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.9 150.47 52.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.996 0.427 . . . . 10.0 111.832 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.26 113.49 25.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.321 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 1' ' ' MET . 16.1 m -133.39 169.59 21.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.372 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 28.7 mm-40 -133.92 158.72 74.75 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.09 -37.29 68.45 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.294 1.996 . . . . 10.0 112.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.73 7.38 8.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.462 0.541 . . . . 10.0 112.462 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -81.75 132.48 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.29 142.09 36.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.605 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -52.87 -41.07 38.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.901 0.381 . . . . 10.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.52 -42.7 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.618 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.26 -36.44 84.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.16 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' ILE . 96.4 t -61.11 -44.93 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.786 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -64.28 -32.71 74.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.5 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.03 90.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.148 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.29 -39.13 91.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.888 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 26' ' ' VAL . 40.3 mt -71.5 -38.07 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.651 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -83.14 -52.91 6.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.854 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -77.28 -67.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.875 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.29 12.32 4.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.337 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.45 126.61 63.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.6 Cg_exo -50.93 143.12 31.61 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.782 2.321 . . . . 10.0 112.623 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 Cg_exo -61.93 -19.09 64.63 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.725 2.283 . . . . 10.0 113.492 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.18 -20.52 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 10.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 89.9 mt-30 -97.67 1.96 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 10.0 109.803 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.54 101.87 13.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.308 -0.86 . . . . 10.0 109.958 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 9.9 mtp180 -98.25 108.53 21.25 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.1 mt -88.66 119.52 29.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.004 0.43 . . . . 10.0 110.929 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.7 mp -114.83 133.45 60.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.33 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.715 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.2 t80 -139.19 126.87 21.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.274 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 22.03 12.53 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.76 20.52 50.45 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.35 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 38.4 mtmt -143.15 162.02 36.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.841 0.32 . . . . 10.0 110.227 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.12 150.39 22.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.759 0.314 . . . . 10.0 110.688 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 45' ' ' PHE . 23.9 mt -102.79 145.85 29.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.488 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.39 150.77 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.627 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.46 -32.16 68.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.35 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.57 35.54 4.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.995 -0.621 . . . . 10.0 113.286 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -130.02 160.39 33.81 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.2 p -99.61 178.57 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.528 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 18' ' ' GLU . 87.7 mt -73.77 -32.38 63.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.064 0.459 . . . . 10.0 109.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -20.78 63.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.637 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -60.65 -37.07 80.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.977 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.86 15.27 25.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.932 -0.577 . . . . 10.0 110.789 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 58.62 42.28 20.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.934 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.52 127.85 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.156 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -121.55 -162.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.0 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -68.94 148.13 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.332 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 62.65 27.03 15.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.744 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.6 m -87.31 144.51 26.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.7 m -101.74 124.9 48.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.765 0.317 . . . . 10.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.79 142.67 45.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -101.44 128.19 47.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.918 0.389 . . . . 10.0 110.23 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.23 101.25 10.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.253 0.549 . . . . 10.0 110.675 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB ' ' C' ' 490' ' ' THR . 74.8 t -89.55 134.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.147 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.1 168.04 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.195 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.421 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 23.0 ttt180 -138.4 112.01 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.746 0.308 . . . . 10.0 110.691 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' C' ' 487' ' ' GLU . 5.6 mp -138.95 99.12 3.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.182 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -110.09 2.91 19.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.989 0.423 . . . . 10.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.25 62.82 0.57 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.085 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 CA-C-O 117.784 -1.565 . . . . 10.0 110.969 179.799 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -110.44 132.96 53.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.588 0.232 . . . . 10.0 111.182 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.14 158.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -115.47 124.43 51.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.709 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 121.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -109.63 132.94 53.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 10.0 111.178 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -95.95 169.39 10.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.16 -19.17 65.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.87 0.367 . . . . 10.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 -10.45 58.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.258 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 -15.51 58.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.037 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -63.77 114.07 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 10.0 110.437 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -109.08 125.89 52.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.425 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.9 160.17 16.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.101 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -112.04 131.77 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.213 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -127.97 147.44 50.49 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.13 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -93.76 123.03 36.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.258 0.551 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.17 -179.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.552 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.4 mm-40 -146.27 164.06 26.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.81 -32.25 65.68 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.389 2.059 . . . . 10.0 113.002 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.4 10.15 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.233 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.67 149.62 26.39 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.215 -0.303 . . . . 10.0 110.239 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -100.73 145.26 28.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.82 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.04 -40.41 72.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.158 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.44 -37.36 80.69 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.24 0.543 . . . . 10.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.8 t30 -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 78.3 t -62.12 -42.21 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.716 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -64.01 -33.39 75.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.869 0.366 . . . . 10.0 110.633 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.995 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.4 mttt -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.512 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.04 -39.05 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.726 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.77 -37.2 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.18 -16.99 60.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.935 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -106.32 -52.59 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.8 -14.79 38.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.33 21.06 79.98 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.983 -0.627 . . . . 10.0 113.101 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.99 121.43 64.17 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.68 -0.306 . . . . 10.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.26 134.72 65.97 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.675 2.25 . . . . 10.0 112.236 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.63 -27.42 41.68 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.148 2.566 . . . . 10.0 113.38 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -21.36 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 10.0 111.147 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -103.52 11.1 36.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.557 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -104.9 133.2 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.484 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -139.06 104.5 5.05 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 79.2 mt -94.86 128.93 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.093 0.473 . . . . 10.0 111.692 -178.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -121.49 131.81 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.17 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.7 t80 -139.36 127.53 22.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.124 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.26 25.07 13.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.296 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.57 4.02 90.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.91 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -109.57 139.83 44.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.709 0.29 . . . . 10.0 110.298 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -81.28 127.17 32.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 21.6 mt -83.28 112.74 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.893 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 45.0 mt-10 -74.95 141.25 44.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.035 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.23 -36.49 70.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.179 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.92 24.33 9.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.731 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -121.46 161.95 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.979 0.419 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -100.58 169.58 8.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.474 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.3 mt -70.41 -32.94 70.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.931 0.396 . . . . 10.0 110.64 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.22 -28.66 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.238 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.06 -44.31 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.233 0.54 . . . . 10.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -89.18 8.77 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.203 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 63.79 30.77 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.571 0.545 . . . . 10.0 111.361 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.2 mt -78.34 107.77 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.772 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -105.14 -164.13 1.01 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.345 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 158.15 36.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 61.67 43.39 9.89 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -110.01 136.98 48.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.398 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -107.41 119.95 40.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.62 135.41 45.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.985 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 29.4 m170 -93.47 126.36 38.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -107.88 110.6 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 10.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.53 134.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.052 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.25 130.76 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 10.0 111.237 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 72' ' ' ARG . 27.2 ttt180 -116.35 132.27 56.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.092 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.8 mt -126.56 161.82 27.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -104.97 95.46 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 10.0 110.219 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.96 -158.75 20.15 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.547 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.655 -1.08 . . . . 10.0 111.601 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.699 -0.111 . . . . 10.0 110.699 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 60.65 26.76 16.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.22 0.533 . . . . 10.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -35.78 79.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -62.51 -45.27 93.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.31 -36.66 83.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.287 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.37 -47.2 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.397 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.978 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 13.7 mtm -70.54 -39.76 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.441 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.62 97.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -58.86 -34.8 72.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.786 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.84 -38.69 92.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 10.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 464' ' ' ILE . . . . . 0.412 HD11 HG12 ' C' ' 486' ' ' VAL . 76.8 mt -70.91 -35.64 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -63.71 -24.49 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.641 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.01 -13.08 60.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.963 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 44.3 mtm -102.8 -42.4 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.992 0.425 . . . . 10.0 110.273 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 468' ' ' PHE . . . . . 0.616 ' O ' HG12 ' C' ' 471' ' ' VAL . 15.5 m-85 -122.16 86.48 47.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.918 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.69 -9.72 22.84 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.754 2.303 . . . . 10.0 113.15 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -87.61 -5.66 58.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 471' ' ' VAL . . . . . 0.616 HG12 ' O ' ' C' ' 468' ' ' PHE . 6.1 p -94.21 135.02 24.86 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.96 126.9 20.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.292 1.995 . . . . 10.0 112.071 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -55.28 -37.73 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.208 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -66.5 -27.59 67.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.521 0.2 . . . . 10.0 111.076 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 475' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' C' ' 475' ' ' LEU . 10.3 mt -73.75 -37.43 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 10.0 109.982 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.02 -45.82 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.603 . . . . 10.0 109.52 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -32.49 73.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.591 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -52.14 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.081 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 479' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' C' ' 489' ' ' THR . 23.6 t70 -69.08 -36.28 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.084 -0.246 . . . . 10.0 111.293 -179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.15 -25.89 62.01 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.851 0.357 . . . . 10.0 111.285 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.93 -5.03 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.059 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 482' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -113.72 -61.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.7 p -67.79 -46.05 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.71 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 63.82 25.87 14.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.003 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.5 t -153.48 106.01 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.764 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 486' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 8' ' ' LEU . 11.2 m -57.74 -25.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.918 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 487' ' ' GLU . . . . . 0.705 ' HB3' HD13 ' A' ' 73' ' ' LEU . 3.3 mp0 -64.45 -36.56 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.858 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.36 -30.9 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.152 0.501 . . . . 10.0 110.608 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 489' ' ' THR . . . . . 0.531 ' O ' HG13 ' C' ' 493' ' ' ILE . 58.7 m -61.34 -65.84 0.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.178 -178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 490' ' ' THR . . . . . 0.536 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.48 -35.03 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.953 -178.308 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 491' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 21.0 t70 -65.96 -51.43 58.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.5 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.14 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 493' ' ' ILE . . . . . 0.531 HG13 ' O ' ' C' ' 489' ' ' THR . 66.7 mt -67.25 -40.57 85.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.91 -35.62 59.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.544 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -54.22 33.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.923 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.07 68.22 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.363 -0.922 . . . . 10.0 112.333 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -132.86 -58.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.923 0.392 . . . . 10.0 110.232 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.92 137.25 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.509 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.62 141.3 57.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 111.512 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 31.4 m -91.37 162.83 30.9 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.146 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 68.08 2.73 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.714 2.276 . . . . 10.0 111.749 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -92.25 125.75 55.29 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.712 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.23 117.42 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.676 2.251 . . . . 10.0 111.473 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.346 -0.835 . . . . 10.0 110.244 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -102.17 139.6 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.969 0.414 . . . . 10.0 111.599 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -128.12 156.28 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.537 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -116.43 107.28 14.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.828 0.347 . . . . 10.0 110.947 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -94.24 117.44 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -100.73 141.7 33.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.0 0.429 . . . . 10.0 110.926 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -110.22 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.322 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.45 -9.01 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.385 . . . . 10.0 110.86 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -10.45 44.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.11 35.01 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.87 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -92.69 139.8 30.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 10.0 110.344 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.57 98.34 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -87.98 124.37 41.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.084 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.92 117.55 30.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.218 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.0 mt -119.81 149.53 41.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.189 0.519 . . . . 10.0 111.521 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.35 111.15 23.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.595 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.48 166.04 28.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.626 -0.261 . . . . 10.0 110.492 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -133.38 162.18 59.25 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.22 -31.76 30.23 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.832 2.354 . . . . 10.0 113.693 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -81.08 -5.07 57.21 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -70.66 154.18 42.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.032 0.444 . . . . 10.0 110.301 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -106.02 144.29 32.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.452 -178.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 48.8 mm -55.09 -38.22 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.235 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 10.0 110.359 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -64.19 -38.24 90.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.331 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' THR . 65.3 t -60.71 -43.25 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.001 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -65.22 -35.33 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.493 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.32 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.38 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.9 mttt -64.32 -40.77 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.121 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.59 -33.42 63.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.138 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 65.4 tt0 -65.52 -33.85 76.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.73 -27.62 40.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.993 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 74.9 mmtt -81.9 -56.39 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -97.95 -33.82 11.06 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 96.51 38.06 4.59 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.285 -0.96 . . . . 10.0 112.103 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.19 119.56 50.61 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.0 Cg_exo -55.43 144.97 70.58 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.905 2.403 . . . . 10.0 111.955 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -54.78 -26.73 49.01 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.875 2.384 . . . . 10.0 112.868 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -29.92 70.0 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.995 0.426 . . . . 10.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -99.54 10.8 40.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.416 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.0 105.61 15.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.116 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -115.31 103.61 10.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.06 116.63 22.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.427 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.403 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.5 mp -114.87 138.61 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.021 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -131.76 114.55 14.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.814 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.27 16.07 8.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.146 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 -1.5 34.86 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.562 -0.828 . . . . 10.0 113.527 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -122.81 150.23 43.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.098 0.449 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.81 147.93 26.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.847 0.356 . . . . 10.0 111.281 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.58 131.99 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.021 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.14 140.6 39.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 m-20 -61.71 -32.36 72.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.515 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 37.12 3.03 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -138.31 161.86 35.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 10.0 110.338 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -108.49 176.26 5.18 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.83 -24.45 63.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.243 0.544 . . . . 10.0 110.337 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -73.75 -26.8 60.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.009 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.43 -25.54 67.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.018 0.437 . . . . 10.0 111.096 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -111.27 9.81 21.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.756 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.5 43.23 28.88 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.298 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -78.84 113.94 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 -168.45 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.471 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -70.03 148.71 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.597 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 59.84 27.46 16.78 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -76.34 140.81 41.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.888 -0.325 . . . . 10.0 110.479 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -93.56 125.79 38.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.72 131.6 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.854 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -96.03 110.7 22.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.77 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.31 105.59 17.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 10.0 110.314 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 44' ' ' ILE . 46.5 t -85.42 119.55 34.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.4 153.5 29.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.108 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 10.0 111.726 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 14.9 ptt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.116 -0.328 . . . . 10.0 110.116 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.82 134.0 46.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.4 pt -121.22 159.98 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' B' ' 66' ' ' THR . 77.1 m-85 -118.34 109.84 16.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.846 0.355 . . . . 10.0 111.251 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -97.73 119.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -103.15 129.7 50.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.274 0.559 . . . . 10.0 110.569 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.01 166.76 13.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.542 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.72 -26.83 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -13.16 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.864 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.71 -10.4 52.82 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' CD ' ' B' ' 34' ' ' GLU . 38.4 tttp -63.84 140.59 58.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.292 -0.454 . . . . 10.0 110.092 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -122.33 126.85 48.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 10.0 110.793 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.6 131.35 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.649 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.76 125.38 40.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -120.2 145.7 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.25 0.548 . . . . 10.0 111.88 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.13 107.35 19.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.058 -0.973 . . . . 10.0 109.425 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.2 m -135.37 178.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.86 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HD12 ' B' ' 56' ' ' LEU . 8.8 mm-40 -145.68 158.55 49.66 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.25 -27.7 48.84 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.537 2.158 . . . . 10.0 113.305 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -3.72 53.98 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -84.08 152.8 24.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 10.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 42.0 p -97.3 156.36 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.942 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.69 -36.7 76.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.958 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.0 -41.71 97.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.514 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.064 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 58.8 t -63.22 -41.0 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.83 -40.27 96.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.004 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.39 75.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.523 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.31 -39.48 74.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.036 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.76 -37.37 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.75 -34.94 79.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.28 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.72 -28.75 66.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.128 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -92.68 -64.81 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' CD ' ' HE2' ' B' ' 11' ' ' LYS . 72.7 mm-40 -81.73 -25.66 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 36.29 22.45 Favored Glycine 0 C--N 1.321 -0.304 0 C-N-CA 120.381 -0.914 . . . . 10.0 112.694 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -102.42 126.15 34.02 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.52 136.81 64.94 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.516 2.144 . . . . 10.0 112.001 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.45 -23.27 74.92 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.965 2.443 . . . . 10.0 112.454 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.82 66.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.406 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -92.98 -0.11 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -92.46 99.28 12.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -104.58 97.79 7.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -88.02 128.31 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.042 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -127.74 129.79 70.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.785 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -113.83 99.24 7.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.726 0.298 . . . . 10.0 110.975 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.49 25.64 14.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 112.329 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.27 -14.19 30.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.668 -0.777 . . . . 10.0 112.588 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -89.95 120.21 30.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.609 -0.348 . . . . 10.0 110.522 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -78.78 119.08 21.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 123.71 27.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.478 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.9 144.93 28.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.96 -48.67 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.797 0.332 . . . . 10.0 111.686 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.17 54.92 4.93 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.516 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.467 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.9 mmt180 -139.16 151.5 46.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.449 -0.204 . . . . 10.0 110.449 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.97 150.25 20.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.973 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.9 mt -61.09 -28.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 10.0 111.655 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -70.23 -21.05 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.103 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.26 -18.31 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.692 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.96 -0.45 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.674 0.273 . . . . 10.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 55.32 49.55 16.81 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.436 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.2 mt -85.63 130.19 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -166.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.381 0.61 . . . . 10.0 111.497 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -83.03 147.45 28.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.9 18.23 11.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.985 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 m -80.72 138.91 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.095 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -93.72 130.22 39.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 10.0 111.426 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -114.8 148.85 37.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.527 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -100.78 129.26 46.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.742 0.306 . . . . 10.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.8 tp -112.52 107.38 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.372 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 t -100.48 135.29 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.074 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.794 -179.78 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.007 0.432 . . . . 10.0 110.248 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.326 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.77 99.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.351 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 63.8 mtm -64.96 -42.32 94.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.488 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.38 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.802 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -58.62 -38.43 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.652 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.2 tp60 -70.58 -42.68 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.264 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.61 -35.47 67.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.14 -25.05 67.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.851 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -24.21 31.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 110.343 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.4 mmm -81.73 -34.84 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.838 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.429 ' O ' HG12 ' C' ' 471' ' ' VAL . 7.5 m-85 -123.9 86.78 53.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.607 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -77.63 41.06 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.684 2.256 . . . . 10.0 112.369 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -150.04 6.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.255 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.429 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.2 p -107.86 138.85 20.17 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 121.33 -0.148 . . . . 10.0 110.662 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.405 ' O ' HG23 ' C' ' 476' ' ' VAL . 26.4 Cg_exo -65.02 124.98 13.84 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.168 1.912 . . . . 10.0 111.552 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -58.71 -37.35 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.093 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -64.43 -24.16 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 10.0 111.336 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 475' ' ' LEU . 32.9 mt -84.16 -36.37 22.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 10.0 110.235 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.405 HG23 ' O ' ' C' ' 472' ' ' PRO . 15.6 t -63.78 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.331 0.586 . . . . 10.0 109.548 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -24.97 67.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.409 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.89 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.681 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.26 -34.23 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.163 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -23.32 48.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.608 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.61 -11.05 43.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.871 0.367 . . . . 10.0 110.911 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 -35.16 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.246 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.5 p -98.84 -45.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.98 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.64 30.45 8.28 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.653 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.2 t -160.75 127.06 4.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.567 0.222 . . . . 10.0 110.654 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.88 -26.02 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.929 0.395 . . . . 10.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 39.1 mp0 -68.19 -24.0 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.931 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 27.7 mt -99.28 -47.88 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.829 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.542 ' O ' HG13 ' C' ' 493' ' ' ILE . 25.9 m -52.78 -64.43 0.82 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -41.63 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 10.0 112.117 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 23.0 t70 -66.51 -48.18 70.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.077 0.465 . . . . 10.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -21.82 66.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.924 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.542 HG13 ' O ' ' C' ' 489' ' ' THR . 51.5 mt -63.3 -39.59 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -31.02 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.571 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.0 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -88.98 135.62 33.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.049 0.452 . . . . 10.0 111.863 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -123.03 161.83 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.255 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -117.71 104.07 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 10.0 111.586 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -92.16 123.49 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -107.74 132.18 53.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.027 0.441 . . . . 10.0 110.979 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 71.3 p -99.29 165.9 11.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.508 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.72 -12.88 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.117 0.484 . . . . 10.0 110.762 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.95 -3.01 57.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.89 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.91 35.71 20.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 10.0 112.154 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.3 144.67 44.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.79 120.78 40.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.122 0.486 . . . . 10.0 110.414 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.45 118.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.194 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.17 24.05 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.08 144.33 44.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 10.0 111.815 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.87 100.81 12.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.465 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 1' ' ' MET . 20.5 m -125.53 174.5 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.54 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 54.6 mm-40 -129.05 157.92 74.39 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.31 -26.74 53.91 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.658 2.239 . . . . 10.0 112.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 9.46 28.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.79 141.52 31.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.078 0.466 . . . . 10.0 110.477 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.68 144.32 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.305 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.0 mm -56.31 -40.36 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.057 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -57.95 -42.3 84.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.52 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.01 -39.16 90.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.241 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -60.78 -43.11 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.692 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -65.4 -35.43 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.436 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.36 86.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.801 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -64.71 -37.87 89.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.995 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.58 -38.12 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 121.356 0.598 . . . . 10.0 109.65 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.34 -36.08 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.89 -30.93 68.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.005 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -96.46 -44.59 7.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -89.64 -34.65 16.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.08 11.95 53.38 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.594 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -92.91 119.86 67.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -53.95 137.83 69.2 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.788 2.325 . . . . 10.0 112.315 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.15 -18.98 67.65 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.905 2.403 . . . . 10.0 111.961 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.02 -25.47 62.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.087 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -102.75 8.01 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.18 116.88 33.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.403 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -118.09 99.15 6.69 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.147 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.11 140.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.868 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -132.67 112.33 11.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.782 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 10.99 7.58 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.966 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.35 -15.32 17.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.391 -0.909 . . . . 10.0 113.035 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -103.39 149.15 25.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.959 0.379 . . . . 10.0 110.315 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.45 144.96 27.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.014 0.435 . . . . 10.0 110.766 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.82 137.19 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -82.31 145.51 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.103 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.8 -38.48 91.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 10.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.25 41.85 3.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.092 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.7 mmt-85 -136.71 165.44 25.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -109.77 169.0 8.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.677 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 45.1 mt -64.24 -34.59 78.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.633 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.7 m -67.9 -19.07 64.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.278 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.88 -24.86 61.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 10.0 111.131 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -114.3 12.95 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.81 32.79 22.56 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.34 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.1 mt -79.11 109.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -99.24 -166.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.017 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -70.98 151.77 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.938 0.399 . . . . 10.0 111.854 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 64.13 11.17 6.02 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.136 -0.938 . . . . 10.0 113.086 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -74.45 145.97 43.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 10.0 110.565 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -92.68 125.42 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.62 128.02 54.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.48 118.26 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.679 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 44.2 tp -99.66 107.92 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.019 0.438 . . . . 10.0 111.052 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.94 136.43 24.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.43 162.82 13.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.378 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.736 0.303 . . . . 10.0 110.504 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.194 -0.298 . . . . 10.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -115.45 132.92 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.384 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -121.46 151.57 24.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.022 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' B' ' 66' ' ' THR . 47.9 m-85 -108.57 116.66 32.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.706 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -105.93 119.46 55.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -106.09 124.88 50.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.918 0.389 . . . . 10.0 110.978 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.448 HG22 HD23 ' B' ' 69' ' ' LEU . 64.7 p -82.89 169.59 15.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.46 -27.49 69.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 10.0 109.81 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -20.55 61.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.073 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.64 18.6 20.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.877 -0.678 . . . . 10.0 112.5 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -88.25 122.19 31.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.709 0.29 . . . . 10.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.63 105.19 17.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.06 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.19 125.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.049 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -90.5 137.6 32.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.501 HD11 HG12 ' B' ' 30' ' ' ILE . 42.4 mt -130.69 134.2 46.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.807 0.337 . . . . 10.0 111.412 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -87.92 108.95 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.73 163.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.129 0.49 . . . . 10.0 111.407 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.51 ' O ' HD12 ' B' ' 56' ' ' LEU . 72.3 mm-40 -120.39 158.46 51.06 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.09 -34.56 78.56 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.242 1.961 . . . . 10.0 112.598 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.31 1.79 20.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -77.19 146.32 37.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.9 p -94.19 150.57 20.19 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.763 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.509 HD12 HD13 ' B' ' 50' ' ' LEU . 45.2 mm -56.75 -37.2 52.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.151 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.75 -42.01 98.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.598 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.58 -35.65 77.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.417 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.5 t -60.53 -45.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.62 -32.42 73.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.483 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.49 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.25 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.0 -35.85 79.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.153 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.501 HG12 HD11 ' B' ' 15' ' ' LEU . 19.7 mt -73.35 -32.52 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 31.1 tt0 -63.64 -28.92 70.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.252 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.01 -30.78 39.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.174 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -87.02 -50.09 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.96 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.09 -25.92 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 82.87 26.71 44.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.591 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.43 124.65 37.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.566 0.183 . . . . 10.0 110.794 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.4 Cg_exo -54.46 137.74 72.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.794 2.33 . . . . 10.0 112.411 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.7 Cg_exo -57.02 -21.98 44.62 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.038 2.492 . . . . 10.0 113.396 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.1 -27.51 61.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.401 0.619 . . . . 10.0 110.57 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -98.96 13.04 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.885 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -112.96 124.31 52.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.736 0.303 . . . . 10.0 111.732 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -122.71 110.94 16.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.891 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -98.59 132.96 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.097 0.475 . . . . 10.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.97 131.65 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.006 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -115.92 106.53 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 10.0 111.041 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 24.66 12.27 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.588 -0.733 . . . . 10.0 112.383 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.98 -15.83 43.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.115 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -93.85 114.33 26.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.25 135.37 50.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD13 HD12 ' B' ' 23' ' ' ILE . 24.6 mt -85.73 131.55 34.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.864 0.364 . . . . 10.0 111.227 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.57 141.08 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.856 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.43 -48.33 68.85 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.424 0.453 . . . . 10.0 111.82 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.6 51.84 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.978 -0.63 . . . . 10.0 113.072 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 54' ' ' ARG . 39.1 mmt-85 -143.53 166.02 25.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.4 p -106.58 177.7 4.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.614 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.6 mt -76.14 -36.09 58.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.673 0.273 . . . . 10.0 110.621 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -21.7 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.015 0.436 . . . . 10.0 110.332 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -57.79 -31.87 66.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.201 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -111.11 11.72 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.809 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 58.2 47.34 14.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.925 . . . . 10.0 111.899 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -84.99 130.46 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -120.06 -167.62 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 10.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -75.75 154.37 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.301 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.85 21.63 11.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.42 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 m -90.17 157.16 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.872 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.0 m -124.28 139.64 53.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -126.69 156.98 40.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.336 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -102.87 133.15 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.063 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.448 HD23 HG22 ' B' ' 7' ' ' THR . 54.0 tp -114.09 113.0 24.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.383 . . . . 10.0 110.701 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.7 t -95.18 128.17 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.133 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.357 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.0 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.592 0.234 . . . . 10.0 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.99 -39.3 87.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 10.0 110.561 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.69 95.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.567 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.28 -35.53 81.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.394 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.81 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.957 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.07 -38.99 84.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.066 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.3 tp60 -64.64 -45.03 88.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.107 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 89.7 mt -66.09 -35.66 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.288 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.47 -26.22 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -79.97 -27.49 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.228 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 28.4 mmm -84.89 -32.26 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.366 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.412 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.4 m-85 -119.93 79.38 24.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.656 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.97 44.31 1.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.5 2.133 . . . . 10.0 112.26 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.0 21.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.412 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.2 p -131.25 137.9 31.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.351 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 37.8 Cg_exo -61.81 128.8 25.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.504 2.136 . . . . 10.0 112.086 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -53.6 -44.91 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.433 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -63.49 -25.77 68.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 475' ' ' LEU . 15.7 mt -77.82 -32.74 52.45 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.844 -0.343 . . . . 10.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.5 t -67.53 -40.6 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 10.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.39 -30.75 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.69 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.0 -48.8 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.53 -39.95 94.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.358 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.67 -35.01 71.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 111.073 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -85.25 4.61 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.94 -51.11 2.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.021 0.438 . . . . 10.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 66.9 p -89.34 -41.43 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.534 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? 68.11 27.97 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.471 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.7 t -149.07 121.63 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.14 -26.67 41.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.137 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.76 -29.93 67.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 23.1 mt -88.17 -39.83 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.432 ' O ' HG13 ' C' ' 493' ' ' ILE . 39.5 m -54.7 -51.71 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 10.0 111.729 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 4.6 p -63.85 -39.45 94.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.12 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 27.5 t0 -62.91 -48.64 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.732 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -55.19 -47.91 74.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.432 HG13 ' O ' ' C' ' 489' ' ' THR . 74.6 mt -61.83 -43.76 97.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.866 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -37.46 85.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.587 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 32.0 mm-40 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.453 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.604 0.24 . . . . 10.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -99.92 144.59 28.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.916 0.389 . . . . 10.0 111.319 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.1 pt -131.03 167.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.04 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 66.0 m-85 -125.11 121.89 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.701 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.84 116.79 53.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.743 0.306 . . . . 10.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -87.58 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 10.0 110.438 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.487 HG23 HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -106.76 160.26 15.61 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.565 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.4 -16.6 48.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.103 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -78.35 -7.19 56.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.813 0.34 . . . . 10.0 111.451 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 20.64 54.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.643 -0.789 . . . . 10.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -114.94 147.53 39.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -109.28 114.77 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.091 0.472 . . . . 10.0 110.321 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -90.43 117.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 127.73 35.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.855 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.41 155.13 50.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 10.0 111.214 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -104.06 120.23 40.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.22 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 m -135.5 167.32 25.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.828 0.347 . . . . 10.0 111.087 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.2 mm-40 -120.09 158.68 49.8 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.533 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -36.83 97.57 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 122.251 1.968 . . . . 10.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -86.31 5.58 33.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.793 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.6 t0 -68.16 149.62 49.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 10.0 110.54 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 m -100.14 142.31 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.591 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -52.05 -44.54 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.293 0.371 . . . . 10.0 111.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.44 -44.48 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 10.0 110.557 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.35 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.074 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 94.1 t -62.24 -42.58 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.893 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' OD2' ' A' ' 52' ' ' ASP . 28.2 mtmt -66.07 -34.05 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.273 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.71 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.945 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -66.37 -33.42 75.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.838 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -74.12 -30.11 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 37.5 tt0 -70.18 -32.34 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.239 -0.892 . . . . 10.0 110.095 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.37 -32.78 58.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -87.83 -55.69 3.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -87.19 -41.6 13.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.664 0.268 . . . . 10.0 111.657 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 102.57 1.12 49.94 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.059 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -68.11 126.72 92.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.16 134.88 55.05 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.411 2.074 . . . . 10.0 111.946 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.85 -18.29 26.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.739 2.293 . . . . 10.0 112.763 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -28.09 63.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.109 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.88 15.39 24.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.629 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -101.78 111.82 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.412 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -111.43 109.88 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 mt -93.96 114.55 26.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.005 0.431 . . . . 10.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.48 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.34 135.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.994 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.1 t80 -129.41 114.78 16.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.26 30.97 17.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.571 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.44 26.57 35.56 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.714 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 34.4 mtmt -138.99 136.77 35.71 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.552 -0.381 . . . . 10.0 110.659 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.24 125.1 29.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.9 mt -84.69 147.02 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.86 145.84 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.815 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -60.87 -44.64 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.899 -178.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.38 53.22 4.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.978 -0.629 . . . . 10.0 113.434 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -141.98 160.95 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 62.2 p -104.28 172.35 6.85 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.2 mt -66.78 -29.16 69.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.329 0.585 . . . . 10.0 110.049 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -15.96 62.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.334 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -71.99 -26.14 62.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 10.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -118.62 16.69 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.423 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 58.81 34.98 24.06 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.597 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.55 120.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.957 0.408 . . . . 10.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -108.61 -162.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -76.6 152.01 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.28 18.99 11.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.113 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 m -77.58 136.14 38.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.586 0.232 . . . . 10.0 110.513 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.5 m -93.38 113.1 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.976 0.417 . . . . 10.0 111.234 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 146.28 26.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' C' ' 467' ' ' MET . 16.3 m80 -104.01 123.93 48.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.681 0.277 . . . . 10.0 110.481 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 HG23 ' A' ' 7' ' ' THR . 39.7 tp -98.35 104.39 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.14 0.495 . . . . 10.0 110.403 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.48 131.72 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.87 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.68 157.33 18.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.492 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.801 0.334 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -98.1 136.59 38.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -125.08 162.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.9 m-85 -119.16 113.35 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.002 0.43 . . . . 10.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.26 119.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -103.02 129.28 49.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.126 0.489 . . . . 10.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -91.18 170.86 9.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.665 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.53 -19.22 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.323 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.31 -8.21 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.888 0.375 . . . . 10.0 110.853 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.36 -7.39 63.93 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.021 -0.609 . . . . 10.0 112.686 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -72.95 119.95 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 10.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.31 111.43 23.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.119 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.59 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.045 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -100.0 137.96 37.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.966 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -132.78 148.6 52.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.005 0.431 . . . . 10.0 111.298 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -93.84 112.79 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.402 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' B' ' 1' ' ' MET . 23.2 m -138.52 179.75 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.925 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -139.63 158.46 68.12 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.84 -28.66 68.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.103 1.869 . . . . 10.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 9.51 28.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.777 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -79.2 157.13 27.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.847 0.356 . . . . 10.0 110.24 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 146.24 27.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.498 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.4 -41.22 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 10.0 110.401 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.91 -42.24 89.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.81 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.0 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 3.2 mmmm -60.93 -40.67 94.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.992 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.88 76.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.661 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.37 -37.77 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.327 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.18 -35.44 63.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.588 0.708 . . . . 10.0 109.306 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 32.7 tt0 -70.26 -21.69 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.044 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.32 -39.61 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.906 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -77.49 -60.12 2.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.489 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.93 -51.71 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 10.0 111.179 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 115.54 -4.82 21.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 10.0 112.162 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.45 127.16 86.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.511 -0.181 . . . . 10.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.89 133.92 61.15 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.319 2.013 . . . . 10.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.49 -23.35 74.97 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.599 2.2 . . . . 10.0 111.643 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 -25.75 67.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.215 -0.902 . . . . 10.0 111.066 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -111.13 12.69 21.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.797 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.45 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 65.5 mt-30 -96.83 106.36 18.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.115 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -110.79 99.47 8.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.63 125.52 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.103 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -122.25 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.666 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 72.9 t80 -123.1 115.42 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.291 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.77 20.02 10.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.701 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.55 -10.92 56.44 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -97.26 130.4 44.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.604 0.24 . . . . 10.0 110.62 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -76.83 137.22 39.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -93.59 122.84 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.886 0.374 . . . . 10.0 111.569 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.708 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.84 -37.19 65.86 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.069 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.04 35.14 2.76 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.281 -0.485 . . . . 10.0 112.892 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -135.35 163.38 30.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -104.99 168.69 8.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.541 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -66.2 -30.72 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.531 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -73.23 -21.55 60.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.19 -34.62 78.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 10.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.09 9.55 32.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.492 . . . . 10.0 111.075 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.79 40.0 10.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.502 0.501 . . . . 10.0 111.037 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -85.36 102.81 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.502 ' HB2' ' NH2' ' C' ' 484' ' ' ARG . 73.1 mt-30 -93.02 176.33 6.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 8.7 pttt -71.05 164.16 26.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 67.35 2.49 2.88 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.302 0.641 . . . . 10.0 112.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -84.47 148.9 26.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.3 m -99.36 133.42 43.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.422 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.34 143.04 45.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.747 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.15 131.45 45.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.773 0.321 . . . . 10.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.16 106.3 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.274 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.13 132.77 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.497 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.239 179.431 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.996 0.426 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.94 -39.67 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.232 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.35 -40.38 89.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.52 -26.07 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.533 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -77.74 -40.99 39.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.03 -34.05 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.275 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.6 -25.61 68.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.64 -27.96 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 10.0 110.246 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.489 ' HA ' ' CG ' ' A' ' 68' ' ' HIS . 45.0 mtm -82.1 -48.83 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.267 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 16.5 m-85 -115.48 91.63 29.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.715 0.293 . . . . 10.0 110.683 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.61 40.18 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.792 2.328 . . . . 10.0 113.196 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.36 14.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.789 0.328 . . . . 10.0 111.465 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.1 p -116.85 130.89 24.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 120.994 -0.283 . . . . 10.0 110.814 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 129.41 34.69 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.671 2.247 . . . . 10.0 111.909 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.48 -42.96 79.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.215 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -62.71 -26.76 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.595 0.22 . . . . 10.0 111.595 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' C' ' 475' ' ' LEU . 16.6 mt -76.16 -39.14 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 10.0 110.005 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.43 -45.8 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.919 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 7.5 mt -63.78 -27.49 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.893 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -68.33 -51.88 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.103 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.11 -33.97 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.718 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -30.19 64.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.363 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 45.6 mt-30 -83.34 -12.06 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.019 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.87 -48.76 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.739 -0.209 . . . . 10.0 111.498 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 16.5 p -83.56 -36.01 24.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.502 ' NH2' ' HB2' ' B' ' 62' ' ' GLN . 5.1 mpt_? 62.94 27.79 16.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.104 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -161.12 124.39 3.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.689 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.56 -28.98 45.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.746 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.635 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 9.7 mt -92.73 -40.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.894 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 37.9 m -53.54 -56.02 20.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.026 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -31.65 72.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.442 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -67.27 -40.44 86.19 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -58.43 -43.57 88.77 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.228 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.88 -46.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.432 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -30.76 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.462 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 10.0 110.479 179.129 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.4 ptt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -105.0 133.49 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.448 . . . . 10.0 111.554 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.67 158.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.705 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -120.57 130.65 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.773 0.32 . . . . 10.0 110.773 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.41 133.48 59.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -104.79 140.52 37.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 21.8 p -114.19 161.7 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.086 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -72.09 -4.47 29.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.392 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.38 39.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.953 0.406 . . . . 10.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.07 43.52 16.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.401 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -128.47 123.54 33.89 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -87.09 128.85 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.521 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.0 mt -113.84 127.27 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -96.39 127.72 42.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.935 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.94 140.14 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 10.0 111.624 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -102.8 107.49 18.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.004 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 1' ' ' MET . 26.6 m -139.08 168.07 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.61 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -113.24 156.13 43.49 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.95 -26.02 56.28 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.816 2.344 . . . . 10.0 113.139 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 13.76 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.908 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -86.68 149.23 25.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.23 144.88 27.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.674 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 HG23 HD12 ' A' ' 43' ' ' LEU . 46.8 mm -55.85 -43.89 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.203 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -34.27 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 10.0 110.681 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -70.88 -22.6 62.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.095 0.474 . . . . 10.0 110.466 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' THR . 94.0 t -77.03 -42.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.059 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.71 82.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.084 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.45 -34.38 75.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.68 -34.76 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.87 -36.09 82.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.964 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.42 -34.49 74.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -85.87 -50.92 6.74 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -93.29 -25.48 17.74 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.2 22.63 51.34 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.312 -0.946 . . . . 10.0 112.233 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -98.7 127.83 34.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.325 -0.25 . . . . 10.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.52 128.1 27.08 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.521 2.147 . . . . 10.0 112.153 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.97 -18.88 29.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.298 2.665 . . . . 10.0 112.814 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.524 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.38 15.66 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 10.0 110.801 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.64 121.94 44.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.044 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -116.51 131.11 57.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 HG23 ' A' ' 23' ' ' ILE . 22.0 mt -106.66 116.11 31.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.147 0.499 . . . . 10.0 110.318 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.69 133.96 55.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -125.76 109.46 12.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.16 24.69 14.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.428 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.75 -7.27 60.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.819 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -100.02 131.29 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.735 -0.274 . . . . 10.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 130.46 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.64 144.32 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.744 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.7 mt-10 -87.75 143.9 26.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -63.75 -36.0 82.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 31.57 4.12 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.824 -0.703 . . . . 10.0 113.658 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 28.8 mmt180 -123.83 166.79 15.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.95 0.375 . . . . 10.0 110.218 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 24.1 p -107.27 172.53 6.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.783 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.32 -31.31 71.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.171 0.51 . . . . 10.0 110.127 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -21.09 65.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.166 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -63.45 -37.18 86.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -111.08 13.96 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.558 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.55 39.54 24.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.624 -0.717 . . . . 10.0 111.834 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -81.96 112.05 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -103.83 -166.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -71.61 161.33 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.385 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 64.02 15.9 9.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.792 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -89.79 147.33 23.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.84 0.352 . . . . 10.0 110.775 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -107.54 126.9 53.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.814 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.63 141.62 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -99.17 117.13 32.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.639 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 41.6 tp -94.05 100.81 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 10.0 110.192 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -94.47 132.66 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.9 mt -101.56 147.73 26.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.849 0.357 . . . . 10.0 110.365 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -111.47 136.09 51.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.791 0.329 . . . . 10.0 111.298 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.17 165.45 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.593 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 66' ' ' THR . 55.2 m-85 -124.15 119.67 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.713 0.292 . . . . 10.0 110.955 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.27 121.36 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -106.2 125.91 51.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.994 0.426 . . . . 10.0 110.947 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -80.87 168.6 18.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.061 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.01 -20.49 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 10.0 110.815 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -19.56 43.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.329 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.29 8.56 30.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.494 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -80.39 122.59 27.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -99.06 114.99 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 10.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.12 128.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.788 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -93.77 123.51 37.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.7 mt -125.62 151.4 46.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 10.0 111.625 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.4 114.64 28.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.347 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -144.93 146.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.194 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -100.47 156.63 35.0 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -53.38 -29.32 47.7 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 122.697 2.265 . . . . 10.0 113.219 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -85.84 9.11 17.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.891 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -86.86 134.06 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.855 0.36 . . . . 10.0 110.357 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.28 148.43 32.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -56.52 -38.14 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.01 -41.32 78.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.799 0.333 . . . . 10.0 110.652 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.23 -36.71 82.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 10.0 110.141 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.4 t -64.31 -40.26 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.786 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -40.48 92.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.102 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.73 89.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.6 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.42 -39.07 93.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.329 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.3 mt -70.96 -40.49 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.167 0.508 . . . . 10.0 110.015 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.73 -38.91 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.156 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -0.81 16.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 10.0 112.01 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -123.28 -49.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.956 -0.298 . . . . 10.0 111.766 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.57 -10.65 45.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.2 74.35 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.107 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 123.94 37.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.335 -0.246 . . . . 10.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 35.1 Cg_exo -57.98 138.75 87.57 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.472 2.114 . . . . 10.0 111.838 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -57.81 -21.24 47.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.087 2.525 . . . . 10.0 112.903 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -27.43 68.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.497 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.89 17.25 20.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.918 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -99.75 91.49 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.138 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 71.3 mtt180 -92.26 93.02 8.44 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.2 mt -85.23 114.72 22.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.492 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -120.58 129.18 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.317 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.439 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.8 t80 -120.82 116.76 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.346 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.25 24.54 13.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.729 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.81 70.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.727 -0.749 . . . . 10.0 112.844 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -97.73 118.73 34.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.26 125.11 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.5 mt -86.21 120.25 27.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.269 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.88 148.99 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.293 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.17 44.24 3.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.808 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.403 ' O ' HG12 ' B' ' 23' ' ' ILE . 17.9 mmt180 -142.06 153.88 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.0 p -101.55 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.253 -0.276 . . . . 10.0 110.253 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 58.5 mt -72.49 -33.46 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.129 0.49 . . . . 10.0 110.261 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -23.6 64.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.948 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.34 -33.61 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.427 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -108.22 9.83 27.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.291 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 62.18 37.32 14.42 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.716 0.635 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 123.52 31.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.34 -167.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 10.0 111.459 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -73.55 147.28 44.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.283 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 68.08 17.08 9.49 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.702 -0.681 . . . . 10.0 112.066 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -68.86 131.11 44.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 10.0 110.212 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -98.29 123.87 42.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.33 138.49 40.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.431 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -95.0 127.61 41.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.0 107.61 18.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 10.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 11.3 t -103.74 143.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.157 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.362 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.947 0.403 . . . . 10.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -63.25 -42.65 99.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.429 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 52.2 mtm -64.24 -40.39 95.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.9 96.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.85 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.53 -41.29 89.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.382 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.8 tp60 -64.04 -38.93 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.07 -36.65 76.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.508 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -61.7 -27.73 68.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 10.0 109.986 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.59 -26.55 45.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.532 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 53.8 mmm -86.9 -37.91 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.028 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.78 86.17 23.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' C' ' 467' ' ' MET . 5.7 Cg_exo -78.22 49.51 3.04 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.047 2.498 . . . . 10.0 112.593 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -165.11 35.87 0.06 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.058 0.456 . . . . 10.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.1 p -141.09 134.11 14.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.3 Cg_exo -60.12 124.35 15.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 10.0 112.002 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -55.66 -39.15 70.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.628 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -62.81 -30.27 71.35 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.975 -0.29 . . . . 10.0 111.401 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 47.5 mt -75.41 -34.14 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.12 -40.86 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 93.6 mt -63.83 -31.53 72.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.304 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.1 -49.87 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 10.0 111.046 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.71 -38.1 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -31.72 67.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.599 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 72.7 mt-30 -78.41 -7.17 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.763 0.316 . . . . 10.0 111.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.0 mm? -112.68 -50.12 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.768 0.318 . . . . 10.0 111.296 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.0 p -83.26 -45.05 14.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.891 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 67.05 26.5 8.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.635 0.584 . . . . 10.0 111.19 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.4 t -149.62 128.85 12.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.051 0.453 . . . . 10.0 111.013 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.67 -25.82 38.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.832 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.32 -6.15 48.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.092 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 31.3 mt -113.47 -38.93 2.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -62.74 -56.48 17.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -31.3 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.082 0.468 . . . . 10.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.5 -53.59 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.37 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -49.77 -41.12 43.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.961 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.82 -44.18 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.619 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -29.55 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 10.0 110.573 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.099 179.609 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -103.48 133.09 49.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.248 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -121.81 160.88 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.919 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.0 m-85 -113.05 126.22 55.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.804 0.335 . . . . 10.0 110.749 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.61 118.93 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.829 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -97.21 127.13 42.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.089 0.471 . . . . 10.0 110.521 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.56 156.7 17.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.382 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -65.39 -6.83 11.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.14 10.99 37.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.029 0.442 . . . . 10.0 111.081 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 19.18 78.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 10.0 111.693 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.86 143.37 26.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.578 -0.311 . . . . 10.0 110.687 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -127.9 104.25 7.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.179 0.514 . . . . 10.0 110.234 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.3 135.02 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.159 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -110.22 118.1 35.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.62 152.36 39.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 111.806 -178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -92.17 118.36 30.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.337 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.09 -176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.836 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.1 mm-40 -146.74 157.29 47.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 51.7 Cg_exo -53.48 -33.19 66.46 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.342 2.028 . . . . 10.0 112.531 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.82 53.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.013 -0.54 . . . . 10.0 112.202 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.09 136.19 35.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.379 . . . . 10.0 110.574 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.54 149.27 31.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.805 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 54' ' ' ARG . 51.3 mm -56.77 -33.76 41.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.19 0.519 . . . . 10.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.99 -44.28 94.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.392 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.36 -37.21 86.4 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.412 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 30' ' ' ILE . 61.1 t -59.97 -46.42 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.323 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -63.76 -34.34 77.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.26 93.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -35.67 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.099 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 26' ' ' VAL . 70.8 mt -66.6 -36.29 76.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.35 -31.72 69.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.233 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.63 -42.27 95.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -78.97 -66.01 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.387 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -70.2 -61.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.31 1.3 14.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.045 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.64 122.84 86.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.1 Cg_exo -59.5 148.94 84.89 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 111.897 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.45 -20.17 39.37 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.765 2.31 . . . . 10.0 112.623 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.42 -18.56 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.149 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -117.79 13.29 14.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.419 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -107.3 96.93 6.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.674 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.8 103.74 13.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.422 -0.955 . . . . 10.0 108.422 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 44' ' ' ILE . 24.8 mt -83.79 136.0 34.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.121 0.486 . . . . 10.0 111.665 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.5 mp -131.25 141.59 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 10.0 109.794 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -139.48 123.52 17.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.27 22.32 12.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.698 0.623 . . . . 10.0 112.093 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.05 17.15 44.69 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.657 -0.783 . . . . 10.0 113.692 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -138.83 153.61 48.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.211 0.506 . . . . 10.0 110.647 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.6 OUTLIER -81.92 153.22 26.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.136 0.494 . . . . 10.0 111.781 -179.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -107.7 147.67 30.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.042 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.2 mt-10 -94.93 143.91 26.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.69 0.281 . . . . 10.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -38.15 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.519 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.59 16.06 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.965 -0.636 . . . . 10.0 113.979 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 37.0 mmt180 -115.07 161.68 18.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.993 0.397 . . . . 10.0 110.043 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 p -106.71 166.4 10.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.505 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 85.0 mt -66.45 -28.62 68.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.941 0.4 . . . . 10.0 110.617 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -21.11 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.177 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -62.9 -49.69 73.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 10.0 110.999 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -90.53 13.26 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.384 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 59.08 40.49 21.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.695 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.19 115.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.096 0.474 . . . . 10.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -102.79 -162.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.982 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 36.1 pttt -79.09 160.37 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 38.2 mt-10 73.2 -7.83 1.44 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.175 0.59 . . . . 10.0 111.752 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -64.46 138.77 58.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 10.0 111.11 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.1 m -105.2 117.34 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.497 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.59 149.39 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.622 . . . . 10.0 110.259 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.498 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 33.5 m80 -103.26 136.2 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.335 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 tp -115.29 109.45 17.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' C' ' 490' ' ' THR . 50.9 t -90.81 129.24 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.792 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.45 137.36 32.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.888 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' C' ' 491' ' ' ASP . 3.6 ttm180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 10.0 110.619 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -106.95 126.32 52.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.782 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.8 pt -114.37 160.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.968 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.02 118.87 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 111.139 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.08 127.18 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.751 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.11 127.29 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.057 0.456 . . . . 10.0 110.683 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -94.13 164.47 13.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.504 HD11 HG13 ' B' ' 70' ' ' VAL . 95.6 mt -62.47 -23.42 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.4 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -22.03 57.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 10.0 110.936 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 29.92 6.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.659 -0.781 . . . . 10.0 112.54 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.44 132.4 50.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.55 107.08 19.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.833 0.349 . . . . 10.0 110.479 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -98.75 124.99 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.689 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -96.08 127.77 42.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.444 HD11 HG12 ' B' ' 30' ' ' ILE . 76.4 mt -126.48 135.31 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.736 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.72 106.37 18.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.58 175.39 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.843 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -124.62 152.81 69.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.969 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.67 -25.55 68.47 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.473 2.116 . . . . 10.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -85.29 -1.76 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.932 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.13 155.69 30.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.713 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -94.24 148.45 22.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.915 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.19 -38.31 60.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.01 0.433 . . . . 10.0 110.382 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.32 -42.77 82.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.703 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -71.81 -31.33 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.198 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 22' ' ' THR . 84.6 t -61.25 -50.99 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.318 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -70.08 -24.27 63.2 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.742 0.306 . . . . 10.0 110.761 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.44 83.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 10.0 109.716 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.94 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.444 HG12 HD11 ' B' ' 15' ' ' LEU . 61.9 mt -71.47 -34.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.36 -39.62 92.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.854 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -83.43 -60.34 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.16 -20.33 30.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.93 24.05 56.18 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.435 -0.888 . . . . 10.0 112.779 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -100.31 123.36 46.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 122.845 -0.209 . . . . 10.0 110.549 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.9 Cg_exo -56.85 131.24 44.32 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.456 2.104 . . . . 10.0 111.639 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -58.9 -21.4 57.45 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.593 2.195 . . . . 10.0 112.589 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -17.44 61.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.223 0.535 . . . . 10.0 110.397 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.6 12.83 21.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.886 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -104.98 118.77 37.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.07 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.416 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 7.2 ttt180 -112.09 99.64 8.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -93.3 124.54 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.449 . . . . 10.0 110.952 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.42 134.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.6 t80 -132.53 121.28 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.266 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.65 21.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.921 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.28 90.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.465 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -106.62 130.46 54.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -77.43 135.8 38.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.1 mt -90.68 124.21 34.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.973 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -88.84 136.19 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.256 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.97 -39.89 66.38 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.94 16.55 11.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.978 -0.63 . . . . 10.0 114.445 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -121.26 165.26 15.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.808 0.804 . . . . 10.0 110.341 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 71.8 p -97.95 173.99 6.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -69.45 -40.13 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.449 . . . . 10.0 109.958 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 38.9 m -66.49 -20.13 65.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.977 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.4 OUTLIER -57.16 -40.16 76.71 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.936 0.398 . . . . 10.0 110.789 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -104.81 17.07 24.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.699 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 63.54 29.01 15.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.667 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -76.48 119.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.381 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -124.19 -155.81 0.68 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.516 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.04 157.29 37.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.592 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 65.18 17.11 10.9 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.923 -0.581 . . . . 10.0 112.423 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.2 m -85.56 135.99 33.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.983 0.42 . . . . 10.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -104.31 123.45 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.004 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -109.34 134.18 52.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.889 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -96.72 132.76 42.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -116.89 112.56 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.193 0.521 . . . . 10.0 111.557 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD11 ' B' ' 8' ' ' LEU . 99.4 t -97.28 129.68 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.786 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.071 -179.631 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . 0.511 ' HA ' HD21 ' C' ' 477' ' ' LEU . 15.5 t-20 -64.19 -44.05 93.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.22 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.916 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.2 mtm -65.9 -39.11 90.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.422 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.17 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.537 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' C' ' 466' ' ' GLU . 13.1 t60 -61.58 -44.5 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.263 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -38.01 85.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.425 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.421 HG23 HG23 ' C' ' 490' ' ' THR . 61.1 mt -70.24 -36.31 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.492 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -65.17 -27.64 68.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.064 0.459 . . . . 10.0 110.249 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 462' ' ' HIS . 42.2 mt-10 -72.44 -21.66 61.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.398 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 1.3 mtm -97.88 -42.07 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 12.1 m-85 -118.99 93.28 46.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.24 12.42 3.02 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.646 2.231 . . . . 10.0 112.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.31 8.79 27.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.254 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 130.3 24.41 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.418 ' O ' HG23 ' C' ' 476' ' ' VAL . 53.1 Cg_exo -56.84 132.32 51.0 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.877 2.384 . . . . 10.0 112.853 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.41 -42.86 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.47 -25.11 67.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.432 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.08 -35.75 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 472' ' ' PRO . 39.7 t -65.64 -42.04 91.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' C' ' 458' ' ' ASN . 17.3 mt -60.32 -30.72 69.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.801 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.82 -46.23 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.467 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.522 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.6 t70 -67.62 -40.76 84.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.26 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' C' ' 480' ' ' LEU . 2.3 mm? -59.48 -31.08 69.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.418 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -76.76 -6.92 54.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.737 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -116.54 -54.28 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.644 0.259 . . . . 10.0 111.601 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . 0.441 ' HB ' HD12 ' C' ' 488' ' ' ILE . 82.2 p -82.79 -39.94 21.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.738 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 63.61 33.72 13.03 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.525 0.515 . . . . 10.0 110.94 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 29.2 t -155.16 129.04 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.324 . . . . 10.0 111.113 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.72 -18.47 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.402 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.46 -18.3 61.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 10.0 110.545 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . 0.441 HD12 ' HB ' ' C' ' 483' ' ' THR . 10.8 mt -106.84 -42.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.773 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.522 HG23 ' HB3' ' C' ' 479' ' ' ASP . 59.3 m -56.85 -58.87 6.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.464 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.11 -35.22 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.534 -179.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 4.2 t70 -71.17 -40.37 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -57.75 -40.63 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.284 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.84 -41.25 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.484 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.447 HD22 ' HG3' ' A' ' 49' ' ' GLN . 29.7 mt -67.2 -44.27 80.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.596 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.455 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.785 0.326 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.46 131.9 54.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.855 0.36 . . . . 10.0 111.042 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -123.2 162.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 132.29 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 10.0 111.085 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -116.89 121.17 67.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.76 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -102.16 135.37 43.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.994 0.426 . . . . 10.0 110.672 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -103.5 172.29 6.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.049 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.3 -16.37 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.366 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -7.07 58.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 10.0 111.243 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.76 10.23 65.26 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.825 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.857 0.361 . . . . 10.0 110.322 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -104.58 126.36 51.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.197 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.05 156.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 122.38 46.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.525 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.9 mt -115.72 136.49 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.206 0.527 . . . . 10.0 112.189 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.09 108.95 20.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.089 -0.959 . . . . 10.0 108.992 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -138.08 -178.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.678 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -139.23 158.04 69.87 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -30.08 74.03 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.176 1.917 . . . . 10.0 112.679 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -1.46 55.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 10.0 112.094 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.77 147.66 39.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.812 0.339 . . . . 10.0 110.674 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 p -93.84 150.19 20.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.236 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -58.92 -37.31 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.17 -42.92 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.171 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.09 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 10.0 110.162 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 22' ' ' THR . 58.3 t -62.35 -42.14 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.219 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.14 -35.66 81.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.565 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.54 78.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.329 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.31 -32.78 73.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.239 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.95 -34.18 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.248 0.546 . . . . 10.0 109.576 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.96 -26.83 63.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.836 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.81 -26.45 49.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -94.96 -57.23 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -88.71 -43.87 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.856 0.36 . . . . 10.0 111.22 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.38 34.09 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.465 -0.874 . . . . 10.0 112.053 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.31 124.5 85.85 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.185 . . . . 10.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -59.64 131.98 43.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.517 2.145 . . . . 10.0 111.965 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.5 Cg_exo -56.92 -20.61 37.15 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.126 2.55 . . . . 10.0 112.655 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -32.86 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.328 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 18.27 19.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.796 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -96.26 107.45 19.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -111.17 103.13 11.53 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.18 112.23 21.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.003 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -102.33 133.68 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.577 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 50' ' ' LEU . 47.9 t80 -133.85 121.9 22.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.415 -0.811 . . . . 10.0 108.886 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.43 12.59 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.537 0.523 . . . . 10.0 111.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.38 10.69 59.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.525 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -134.53 151.95 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.103 0.452 . . . . 10.0 110.459 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -83.26 145.46 29.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.181 0.515 . . . . 10.0 112.002 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.1 mt -95.33 148.23 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.837 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.4 mt-10 -93.22 145.08 24.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.861 0.363 . . . . 10.0 110.866 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -38.46 87.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.436 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.02 37.05 3.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.016 -0.611 . . . . 10.0 113.425 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 54.6 mmm-85 -132.59 160.77 35.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.964 0.382 . . . . 10.0 110.05 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.4 p -102.56 163.5 12.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.209 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 18' ' ' GLU . 67.7 mt -64.75 -32.98 74.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.769 0.318 . . . . 10.0 111.079 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 m -67.0 -21.6 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.141 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 15.7 m-20 -66.49 -25.39 66.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.115 0.484 . . . . 10.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.94 8.73 20.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.445 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.46 31.3 20.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.12 116.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.054 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.81 -165.76 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.23 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 42.1 pttt -71.81 153.52 41.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.184 -0.302 . . . . 10.0 110.184 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 35.9 mt-10 73.32 -3.67 2.4 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.202 0.601 . . . . 10.0 112.573 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -63.24 141.16 58.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 10.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -106.87 116.45 31.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.034 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.98 142.64 32.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.713 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -103.48 127.13 50.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.647 -0.252 . . . . 10.0 110.376 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.45 116.07 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 10.0 111.135 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.9 t -109.28 147.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.031 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.59 -171.63 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 10.0 110.801 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 17.2 ttt180 . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.7 ptt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -90.62 133.76 34.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.009 0.433 . . . . 10.0 111.196 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -120.56 159.24 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.889 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 84.4 m-85 -115.91 106.94 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.989 0.423 . . . . 10.0 110.883 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.91 116.21 37.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.536 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.5 126.74 50.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.101 0.477 . . . . 10.0 111.192 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -95.11 164.73 12.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.405 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.95 -8.41 29.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.392 . . . . 10.0 111.218 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -1.77 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.018 0.437 . . . . 10.0 110.68 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.58 13.16 73.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.661 -0.78 . . . . 10.0 112.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -94.32 133.3 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.352 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -106.79 113.38 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.094 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.64 135.0 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 138.2 41.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -143.61 147.21 34.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 10.0 111.404 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -97.8 104.29 16.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.031 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -136.83 160.82 36.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.323 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.433 ' O ' HD12 ' B' ' 56' ' ' LEU . 16.0 mm-40 -115.3 158.9 40.11 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.09 -23.51 53.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 113.377 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.53 5.91 29.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.869 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.91 145.83 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -86.98 147.3 25.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.436 HD12 HD13 ' B' ' 50' ' ' LEU . 45.3 mm -54.9 -40.66 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 10.0 110.751 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.61 -44.27 93.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.53 -38.39 87.06 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.24 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.7 t -60.64 -44.95 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.752 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 46.1 mtmt -65.36 -34.21 77.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.538 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.69 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.085 0.469 . . . . 10.0 109.913 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.31 -32.74 61.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.608 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 26' ' ' VAL . 65.8 mt -70.74 -36.88 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -63.03 -31.81 73.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.127 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.78 -35.46 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.172 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -85.39 -58.03 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.09 -39.28 50.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.31 -6.91 56.16 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.655 -0.783 . . . . 10.0 112.038 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.19 125.96 84.24 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.169 . . . . 10.0 110.618 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.4 Cg_exo -55.43 147.52 56.97 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.944 2.429 . . . . 10.0 112.559 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 22.9 Cg_exo -63.39 -19.31 67.85 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.944 2.429 . . . . 10.0 112.294 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -35.53 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.578 . . . . 10.0 110.113 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -91.26 1.83 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.13 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.424 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 71.4 mt-30 -96.11 113.97 25.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -114.76 100.54 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.0 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.1 mt -90.33 134.05 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.554 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.12 133.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -123.07 110.99 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.873 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.77 6.16 2.58 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.782 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.58 -15.22 9.17 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.709 -0.758 . . . . 10.0 111.921 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -96.65 140.79 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -84.62 138.3 32.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.436 HD13 HD12 ' B' ' 23' ' ' ILE . 34.8 mt -85.59 133.33 34.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.529 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -94.22 142.77 27.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.486 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.81 -49.78 72.29 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.73 0.641 . . . . 10.0 112.73 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 36.51 2.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.033 -0.603 . . . . 10.0 114.524 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 48.7 mmm-85 -130.54 163.86 26.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.172 0.486 . . . . 10.0 109.834 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.4 162.3 13.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.842 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.433 HD12 ' O ' ' B' ' 18' ' ' GLU . 66.9 mt -65.91 -24.93 66.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.925 0.393 . . . . 10.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -72.58 -17.7 61.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.366 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -34.1 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 10.0 111.461 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.54 7.4 44.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.752 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 55.9 49.04 16.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -86.21 131.82 33.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.58 -171.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.253 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -78.1 156.33 30.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.293 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 62.01 22.86 13.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.862 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -84.79 140.19 31.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 59.1 m -97.78 122.15 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.956 0.408 . . . . 10.0 110.802 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.26 149.51 35.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.878 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -97.65 130.2 44.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.561 0.219 . . . . 10.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -112.48 110.39 20.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.279 0.561 . . . . 10.0 110.821 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -102.73 151.35 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.272 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.371 . . . . 10.0 110.567 -179.783 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.791 0.329 . . . . 10.0 110.709 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.79 -46.84 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.93 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 37.2 mtm -62.24 -43.54 98.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -60.51 -42.1 95.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -65.74 -43.07 90.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.851 0.358 . . . . 10.0 110.654 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.606 HD11 HG12 ' C' ' 486' ' ' VAL . 65.0 mt -62.07 -33.81 60.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.538 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -62.38 -31.45 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.919 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -72.08 -36.06 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 10.0 110.394 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 5.7 mmm -74.77 -43.98 52.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.237 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -126.66 90.57 49.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.69 3.37 7.86 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.759 2.306 . . . . 10.0 112.591 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -94.36 -4.46 48.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.719 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.63 127.07 27.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.653 0.263 . . . . 10.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.456 ' HD2' HD12 ' C' ' 475' ' ' LEU . 51.2 Cg_exo -53.59 141.77 62.28 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.153 2.569 . . . . 10.0 113.222 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.47 -40.53 82.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.685 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -66.31 -26.89 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.294 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' C' ' 475' ' ' LEU . 12.3 mt -75.85 -38.94 57.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.946 -0.391 . . . . 10.0 109.946 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.45 -41.7 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.71 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 35.7 mt -64.63 -26.01 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.006 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.78 -49.45 68.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.884 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.77 -34.44 73.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 10.0 110.316 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -28.24 64.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.417 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 73.7 mt-30 -83.41 -7.6 59.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.283 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.5 mm? -107.87 -56.42 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 10.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.1 p -77.55 -45.61 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.673 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 67.16 26.11 8.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.193 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 21.7 t -147.95 115.54 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.518 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.606 HG12 HD11 ' C' ' 464' ' ' ILE . 3.5 m -56.31 -32.33 35.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.961 0.41 . . . . 10.0 111.738 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.43 -37.43 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.725 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.42 -29.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.374 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 92.4 m -61.84 -59.49 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.476 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.454 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.84 -30.6 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.242 0.544 . . . . 10.0 110.061 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.536 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 39.1 t0 -66.48 -47.25 73.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.417 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -57.04 -36.55 70.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.814 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.82 -45.19 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.71 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -39.62 80.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.728 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 49.9 mm-40 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.981 0.419 . . . . 10.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -102.77 135.5 44.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.893 0.378 . . . . 10.0 111.047 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.51 161.77 18.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.337 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 66' ' ' THR . 73.3 m-85 -113.27 131.94 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.73 120.25 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.737 0.303 . . . . 10.0 110.794 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.88 139.42 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.092 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -123.21 159.68 28.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.73 -15.26 63.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.088 0.47 . . . . 10.0 110.854 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -5.43 59.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.04 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.57 31.7 44.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.979 -0.629 . . . . 10.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -114.53 107.85 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.283 -0.265 . . . . 10.0 110.283 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.42 104.44 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.838 0.352 . . . . 10.0 110.643 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -87.44 134.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.09 123.06 48.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -130.09 155.18 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.087 0.47 . . . . 10.0 111.865 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -93.29 116.5 29.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.697 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -134.09 167.66 25.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 56' ' ' LEU . 41.0 mm-40 -121.48 157.67 55.76 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.03 -39.22 92.01 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.102 1.868 . . . . 10.0 112.047 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.69 5.54 24.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.95 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.8 t0 -74.57 143.76 44.3 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 p -89.89 151.51 21.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.01 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -60.82 -33.78 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 10.0 109.903 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.76 -44.65 96.49 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.008 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -63.3 -36.87 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.959 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 90.1 t -62.91 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.81 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -63.13 -39.53 94.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.395 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.164 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.91 -42.74 89.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.041 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 26' ' ' VAL . 67.8 mt -64.9 -34.99 74.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.303 0.573 . . . . 10.0 109.475 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.85 -31.77 71.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.924 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -81.16 -22.2 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.361 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -93.94 -54.42 3.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.817 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -84.75 -44.03 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 10.0 111.285 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -24.76 9.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.366 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 44.1 mt -64.45 123.39 82.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 122.318 0.247 . . . . 10.0 111.264 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 23.2 Cg_exo -64.46 148.69 90.74 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.569 2.179 . . . . 10.0 112.205 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.5 Cg_exo -56.07 -23.32 43.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.222 2.615 . . . . 10.0 112.884 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.53 -29.57 64.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.709 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.54 21.93 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.754 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -106.43 100.15 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 14.4 mtp180 -97.98 96.73 8.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.19 126.51 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.379 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -122.45 139.63 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 50' ' ' LEU . 62.5 t80 -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 19.94 10.57 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.615 0.572 . . . . 10.0 111.567 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.27 63.15 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.748 -0.739 . . . . 10.0 113.751 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -134.73 152.32 51.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.181 0.49 . . . . 10.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -77.53 151.33 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.3 mt -103.09 141.83 35.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.896 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 64.7 mt-10 -82.74 144.04 30.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.99 -30.82 69.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.304 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.99 7.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.122 -0.561 . . . . 10.0 113.266 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -128.32 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.118 -0.327 . . . . 10.0 110.118 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -109.02 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 18' ' ' GLU . 64.5 mt -65.91 -36.62 83.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 m -65.82 -25.79 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.605 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.84 -34.44 77.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.173 0.511 . . . . 10.0 110.195 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -100.79 10.76 40.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.424 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.65 34.43 20.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.75 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.18 124.28 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.189 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -112.24 -164.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.05 154.13 40.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.769 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 67.63 14.73 9.61 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.803 0.689 . . . . 10.0 112.39 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -82.5 148.7 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.799 0.333 . . . . 10.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.3 m -111.49 122.52 48.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.764 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.29 156.84 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -107.7 127.39 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.71 -0.223 . . . . 10.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -107.67 100.53 9.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 10.0 110.153 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 79.5 t -88.96 136.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.778 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.72 175.91 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.455 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.211 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.45 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -104.99 135.0 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.065 0.459 . . . . 10.0 111.664 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -118.32 152.45 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.87 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -104.41 121.56 43.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.647 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.52 118.41 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -105.32 134.49 48.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.885 0.374 . . . . 10.0 110.695 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -102.29 173.23 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.98 -8.09 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.21 -4.2 46.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 10.0 110.969 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.44 -12.88 67.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.55 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -66.01 126.04 27.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.802 0.335 . . . . 10.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -116.23 111.55 20.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.85 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.48 152.51 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.096 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.81 127.7 56.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.012 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.6 148.53 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.009 -0.277 . . . . 10.0 111.339 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.06 120.54 31.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.759 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -142.92 -177.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -146.69 159.96 42.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.712 -0.848 . . . . 10.0 108.712 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.64 -48.66 15.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.485 2.123 . . . . 10.0 112.228 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -82.61 63.43 6.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 10.0 111.181 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -138.58 123.46 18.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.433 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.8 141.51 51.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.333 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.4 -38.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.601 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.63 -38.62 81.85 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.396 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.17 -36.4 79.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.905 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.43 -39.22 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.927 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -62.41 -34.19 76.26 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.312 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.61 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.195 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.52 -36.18 83.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.02 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.67 -40.96 71.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.24 -42.26 94.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.37 -20.88 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.978 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -103.72 -57.63 2.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.92 -13.75 55.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 27.21 71.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -103.61 122.74 43.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -56.54 139.83 88.39 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.584 2.189 . . . . 10.0 111.988 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.4 Cg_exo -59.24 -20.54 55.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.728 2.285 . . . . 10.0 112.225 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -17.47 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.53 11.11 19.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.951 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.9 106.59 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.37 94.28 4.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 mt -84.73 120.72 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.414 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -119.76 131.72 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.915 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 89.3 t80 -130.57 127.58 39.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.37 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 27.42 16.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.747 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.94 6.65 86.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.048 -0.596 . . . . 10.0 113.07 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -123.44 140.42 53.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.351 . . . . 10.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.61 137.02 35.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.184 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.0 mt -89.93 138.52 31.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.629 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -87.89 146.76 25.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.002 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.81 -31.8 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.309 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.37 32.31 5.56 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.956 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 30.1 mmt180 -126.04 158.34 35.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 10.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 162.54 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.087 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.28 -37.4 87.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 10.0 111.256 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -15.36 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.49 -32.12 70.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.284 0.564 . . . . 10.0 110.104 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.452 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.4 m-85 -103.37 11.26 36.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.082 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' C' ' 484' ' ' ARG . 59.5 t30 60.94 39.32 16.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.554 0.692 . . . . 10.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' B' ' 59' ' ' TYR . 67.3 mt -86.82 103.31 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.577 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 4.5 tt0 -94.89 -168.79 1.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.543 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 1.0 OUTLIER -72.3 161.12 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 32.5 mt-10 71.5 8.74 6.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.047 0.539 . . . . 10.0 111.907 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.7 m -82.02 144.11 31.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.273 -0.269 . . . . 10.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -108.04 122.8 47.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.26 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.75 134.97 49.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.288 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -94.64 122.25 37.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.756 0.312 . . . . 10.0 110.74 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 tp -101.05 106.18 17.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -98.24 140.85 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.614 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.983 0.421 . . . . 10.0 111.137 -179.455 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -64.82 -41.59 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.215 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.69 88.25 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.717 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.5 mtm -67.52 -40.46 85.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.489 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.78 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.71 -41.23 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.022 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' C' ' 467' ' ' MET . 26.4 tp60 -64.97 -41.39 95.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.315 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.96 -33.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.32 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -64.95 -29.44 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.146 0.498 . . . . 10.0 109.944 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -78.23 -14.01 59.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.23 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.433 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 87.9 mmm -96.18 -37.06 10.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.1 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -132.94 83.1 53.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.693 179.276 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.2 41.69 0.9 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.928 2.419 . . . . 10.0 112.655 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -137.32 -19.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.64 130.91 35.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.494 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.54 130.17 35.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.787 2.325 . . . . 10.0 112.742 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -51.29 -41.97 60.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 10.0 112.288 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -66.46 -30.97 71.43 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.39 -34.24 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.8 -43.88 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.758 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.29 -26.48 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.406 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -65.13 -53.52 43.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.6 -26.78 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.216 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -29.92 66.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -88.77 -6.18 57.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.91 -61.09 1.43 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.14 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.8 p -77.92 -39.24 43.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.022 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.429 ' HB2' ' ND2' ' B' ' 60' ' ' ASN . 7.3 mtt180 57.48 37.77 27.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.321 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -157.18 116.52 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.073 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.79 -23.77 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 10.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.13 -21.69 62.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 19.1 mt -107.43 -40.19 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.247 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.439 ' O ' HG13 ' C' ' 493' ' ' ILE . 21.1 m -56.03 -64.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.902 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -36.05 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.758 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 11.0 t70 -66.54 -54.75 20.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.115 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -16.77 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.475 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 489' ' ' THR . 18.0 mt -65.61 -42.03 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.79 -35.66 75.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.269 -0.878 . . . . 10.0 110.265 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.568 179.385 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -116.28 133.69 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -122.97 160.05 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.177 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 66' ' ' THR . 94.9 m-85 -115.43 129.28 56.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.14 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.3 126.43 74.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -111.4 133.98 53.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 10.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -98.41 171.32 8.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.815 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.7 -14.5 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.148 0.499 . . . . 10.0 110.573 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -8.58 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.686 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.05 17.06 59.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.063 -0.589 . . . . 10.0 113.001 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -95.02 129.64 42.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.928 0.364 . . . . 10.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.16 121.43 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.441 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.57 131.3 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.46 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.8 114.86 27.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.242 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 30' ' ' ILE . 56.8 mt -117.63 147.03 43.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.061 0.457 . . . . 10.0 112.007 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -101.16 119.47 38.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.226 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG2' ' A' ' 1' ' ' MET . 13.0 m -143.55 165.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.067 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 26.6 mm-40 -119.5 159.87 44.18 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.4 -27.53 49.37 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.542 2.161 . . . . 10.0 113.18 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.98 1.3 53.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -73.4 128.49 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 10.0 110.776 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.58 145.53 34.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.439 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.16 -38.65 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.984 0.421 . . . . 10.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.69 -39.25 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 10.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -68.64 -37.8 79.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 22' ' ' THR . 99.2 t -62.31 -42.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.186 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -63.33 -32.99 74.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.555 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.19 80.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.79 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.27 -32.5 73.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.667 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 15' ' ' LEU . 75.8 mt -72.3 -44.97 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.785 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -59.73 -34.59 73.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.127 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.62 -26.45 68.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.425 . . . . 10.0 112.051 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.93 -46.97 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.52 -34.94 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.399 . . . . 10.0 111.84 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.51 -24.96 28.27 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.014 -0.613 . . . . 10.0 111.819 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.57 122.9 64.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 122.712 0.405 . . . . 10.0 111.076 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.5 Cg_exo -57.77 136.71 77.15 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.605 2.204 . . . . 10.0 112.271 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 38.0 Cg_exo -58.0 -22.71 56.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.908 2.405 . . . . 10.0 112.662 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.58 -22.11 63.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.41 0.624 . . . . 10.0 110.831 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -104.92 8.6 34.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.289 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.16 115.24 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.263 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -112.03 99.15 7.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.29 119.98 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.923 0.392 . . . . 10.0 110.827 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.96 141.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -139.83 117.36 11.45 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.97 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 6.62 88.09 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.856 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -115.02 143.64 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.244 0.522 . . . . 10.0 110.779 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -88.56 131.03 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.912 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.38 143.56 27.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.9 mt-10 -94.14 149.7 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.708 0.289 . . . . 10.0 110.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -42.89 99.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.76 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 45.28 3.34 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.754 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 29.6 mmt180 -138.4 165.62 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -111.97 170.37 8.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.811 0.339 . . . . 10.0 110.606 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.79 -34.47 78.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.913 0.387 . . . . 10.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m -64.54 -26.98 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.361 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.42 -25.38 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.01 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -111.16 10.57 21.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.735 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.99 27.91 17.75 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.379 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.77 125.86 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.796 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -134.23 -153.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.304 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -68.72 155.56 39.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.271 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 67.72 4.57 3.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.901 -0.591 . . . . 10.0 112.479 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -85.59 130.7 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -101.7 118.48 37.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.16 146.2 24.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.114 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.548 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 29.2 m80 -105.59 151.97 23.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.419 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.45 117.88 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.371 0.605 . . . . 10.0 111.914 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.625 HG13 ' HB ' ' C' ' 490' ' ' THR . 37.6 t -98.63 145.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.306 -0.861 . . . . 10.0 109.485 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD13 ' HG2' ' C' ' 487' ' ' GLU . 67.2 mt -103.05 -174.91 2.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.783 0.325 . . . . 10.0 110.891 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.445 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 12.4 ttt180 . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.786 -0.449 . . . . 10.0 109.786 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -103.31 141.02 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.986 0.422 . . . . 10.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.35 159.94 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.779 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -117.79 115.16 24.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.852 0.358 . . . . 10.0 111.091 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -103.34 114.93 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -103.3 124.36 48.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.15 0.5 . . . . 10.0 110.868 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.77 165.6 14.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.329 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.96 -20.39 57.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.218 -0.446 . . . . 10.0 112.002 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.5 p -83.83 -5.1 59.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.101 0.477 . . . . 10.0 111.025 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.27 -11.54 65.39 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.614 -0.594 . . . . 10.0 111.614 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.66 127.09 30.25 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.869 0.366 . . . . 10.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -114.28 107.8 16.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.285 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.45 133.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.912 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -99.67 120.34 39.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.303 -0.628 . . . . 10.0 109.303 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.45 156.51 33.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 10.0 111.594 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -101.59 120.18 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.219 -0.9 . . . . 10.0 110.102 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.3 m -139.41 173.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 47.5 mm-40 -125.76 157.92 67.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.54 -31.14 77.4 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.572 2.182 . . . . 10.0 113.244 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.28 9.72 27.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.925 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.95 138.81 39.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.72 -0.392 . . . . 10.0 110.03 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.0 m -86.93 143.29 27.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.677 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 46.5 mm -53.08 -42.19 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.539 -0.3 . . . . 10.0 111.249 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -40.52 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.623 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.1 -35.33 76.34 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.994 0.426 . . . . 10.0 109.898 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 56.9 t -62.9 -43.59 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 23.6 mtpt -61.72 -39.2 90.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.29 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.59 -41.9 98.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.47 -39.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.244 0.545 . . . . 10.0 109.852 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.28 -37.24 86.46 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.483 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.91 -20.78 61.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.788 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -91.77 -64.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.762 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -80.54 -31.12 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 112.161 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.57 -7.64 59.7 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.863 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.89 122.18 86.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.509 -0.182 . . . . 10.0 110.509 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -55.34 140.71 82.18 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.075 2.517 . . . . 10.0 112.883 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 25.2 Cg_exo -62.52 -22.59 74.19 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.077 2.518 . . . . 10.0 113.117 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.17 -21.92 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 10.0 110.655 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -101.29 -3.94 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.346 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -89.44 120.23 30.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.64 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -121.91 95.5 4.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 mt -82.03 131.19 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.577 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -126.32 131.25 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.432 ' HB3' HD21 ' B' ' 50' ' ' LEU . 64.5 t80 -128.35 120.58 27.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.622 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 28.48 17.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.735 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.33 80.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.827 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -108.37 128.58 54.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.667 0.234 . . . . 10.0 110.448 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.15 134.03 40.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.3 mt -82.37 130.29 35.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.909 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -89.15 135.37 33.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.91 0.386 . . . . 10.0 109.978 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -47.74 19.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.363 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 37.14 2.84 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.663 -0.78 . . . . 10.0 114.343 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 54.6 mmt-85 -130.31 166.03 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.339 0.57 . . . . 10.0 110.031 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.1 p -104.89 175.72 5.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.743 0.306 . . . . 10.0 110.203 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.8 mt -70.63 -32.75 70.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.152 0.501 . . . . 10.0 110.206 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.3 m -72.8 -15.32 61.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.726 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.7 m-20 -70.22 -26.7 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.063 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.62 13.93 15.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.213 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 62.1 39.64 12.78 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.408 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.58 90.61 2.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.164 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -79.94 -177.83 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.2 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -71.04 156.71 39.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.056 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.83 12.93 8.71 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.216 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.1 m -83.17 147.1 28.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.718 0.294 . . . . 10.0 110.226 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.6 m -103.81 129.39 51.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 10.0 111.052 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.432 HD23 HD11 ' B' ' 50' ' ' LEU . 3.1 mp -113.28 144.98 41.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.704 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -97.78 125.17 42.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.373 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -102.71 104.62 14.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 10.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -96.9 133.01 40.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.708 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.045 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.477 0.18 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.06 -43.39 98.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -44.83 87.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.822 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.8 mtm -62.71 -43.03 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.822 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.98 97.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.806 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -38.19 90.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.652 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -64.28 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 10.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.444 HD11 HG12 ' C' ' 486' ' ' VAL . 92.7 mt -71.62 -38.51 67.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.916 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.67 -34.46 72.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.115 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.24 -37.36 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 14.6 mtm -79.49 -39.98 30.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.903 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 27.9 m-85 -120.49 80.31 30.16 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.54 39.19 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.405 2.07 . . . . 10.0 111.891 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -142.38 15.37 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.895 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.6 p -124.9 132.7 24.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.157 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.12 129.27 32.56 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 10.0 112.783 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.83 -41.61 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -66.07 -27.72 68.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 475' ' ' LEU . 18.1 mt -72.96 -39.67 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.05 -47.58 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.21 -29.82 71.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.46 -51.73 47.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.291 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.64 -34.09 77.08 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.5 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -24.29 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.139 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -91.41 -14.83 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 10.0 110.729 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.57 -52.17 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.116 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . 0.484 ' HB ' HD12 ' C' ' 488' ' ' ILE . 28.4 p -82.24 -34.16 28.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.951 0.405 . . . . 10.0 110.673 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.69 19.62 10.76 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.253 -0.885 . . . . 10.0 111.79 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -154.6 134.73 13.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.012 0.435 . . . . 10.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.444 HG12 HD11 ' C' ' 464' ' ' ILE . 28.3 m -67.64 -15.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.128 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 71' ' ' LEU . 13.1 mt-10 -75.3 -21.44 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.374 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' C' ' 483' ' ' THR . 0.0 OUTLIER -105.11 -32.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 10.0 110.956 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 34.9 m -57.93 -51.76 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 10.0 110.877 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.625 ' HB ' HG13 ' A' ' 70' ' ' VAL . 14.7 p -72.08 -33.68 68.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 10.0 110.671 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 56.8 t0 -63.38 -61.34 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.289 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -52.39 -28.27 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.366 -0.834 . . . . 10.0 112.808 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.72 -43.19 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.54 -23.06 65.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 10.0 110.371 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 4.5 mm-40 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.303 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.459 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -96.39 133.93 40.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.384 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -124.94 155.99 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.686 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.69 113.34 24.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.048 0.452 . . . . 10.0 111.14 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -96.1 125.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -100.59 137.68 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.506 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -109.16 165.98 11.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.5 mt -73.35 -2.78 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 10.0 111.235 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -2.09 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 10.0 110.831 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.16 -0.36 78.44 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.98 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -82.67 133.27 35.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.736 -0.273 . . . . 10.0 110.499 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.39 133.7 49.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.201 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.31 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.45 119.8 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' LEU . 32.5 mt -116.96 135.83 53.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.12 0.486 . . . . 10.0 111.7 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.85 107.47 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.049 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.61 172.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.471 . . . . 10.0 111.693 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.3 mm-40 -118.25 158.04 47.5 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.58 -24.6 78.74 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 121.77 1.647 . . . . 10.0 111.315 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -4.88 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.962 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -71.81 145.0 48.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.62 150.89 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.172 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.89 -32.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.245 0.545 . . . . 10.0 110.153 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.59 -46.58 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.49 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.93 -33.23 73.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.73 -43.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.065 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -62.81 -34.44 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.151 0.5 . . . . 10.0 110.401 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.36 -40.53 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.074 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -64.62 -33.03 74.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.206 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.84 -46.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -67.17 -28.54 68.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.44 -37.78 73.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.506 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -106.22 -42.42 5.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -85.55 -36.72 20.28 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.662 0.615 . . . . 10.0 112.662 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.42 58.03 2.82 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.027 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -124.15 128.31 25.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.98 125.62 19.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.839 2.359 . . . . 10.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 -20.33 53.75 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.899 2.4 . . . . 10.0 112.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.67 -24.19 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.192 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -106.22 15.85 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.181 0.515 . . . . 10.0 110.757 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -102.37 93.55 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -96.14 96.24 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 133.46 35.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.101 0.476 . . . . 10.0 111.099 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.17 144.42 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.259 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -137.21 114.4 10.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.38 18.58 10.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.733 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 19.86 26.73 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.78 -0.724 . . . . 10.0 113.324 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -137.25 146.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 154.89 38.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.019 0.438 . . . . 10.0 111.484 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.47 130.91 54.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.778 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 mt-10 -83.14 145.63 29.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 10.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.79 -34.58 78.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.357 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.67 41.03 3.05 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.858 -0.687 . . . . 10.0 113.016 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.2 mmt180 -137.12 159.3 42.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 174.48 6.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.0 mt -69.79 -30.27 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 10.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -24.05 62.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.799 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.67 -26.12 68.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.711 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -114.13 15.16 18.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.716 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 56.74 47.69 17.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.313 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -97.43 106.1 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.356 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -97.33 -165.52 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.526 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 48.5 pttt -75.58 152.5 37.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 64.88 20.2 12.05 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.15 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -87.81 153.91 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.1 m -97.58 124.68 41.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 10.0 111.29 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.59 130.97 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.58 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -93.79 132.69 37.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.381 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -119.49 114.83 22.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.038 0.447 . . . . 10.0 111.028 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' C' ' 490' ' ' THR . 72.5 t -104.33 137.54 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.642 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 14.1 mt -100.46 157.81 16.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.46 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -113.02 146.34 39.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.815 0.34 . . . . 10.0 110.999 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -130.5 158.35 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.096 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' B' ' 66' ' ' THR . 96.6 m-85 -112.24 106.45 15.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.943 0.401 . . . . 10.0 110.742 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.423 HG21 HD12 ' B' ' 15' ' ' LEU . 94.5 t -97.44 118.26 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -102.1 135.4 43.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.817 0.341 . . . . 10.0 110.711 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -103.3 168.13 9.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.12 -22.2 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.058 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -10.56 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.658 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.2 62.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.202 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -91.86 125.42 36.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.632 0.254 . . . . 10.0 110.343 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.57 124.33 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.912 0.387 . . . . 10.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -107.65 126.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.366 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.87 108.84 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.542 HD11 HG12 ' B' ' 30' ' ' ILE . 93.8 mt -110.19 143.89 39.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.427 0.632 . . . . 10.0 112.24 -178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -92.28 117.85 30.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.748 -1.115 . . . . 10.0 109.319 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.75 173.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.036 0.446 . . . . 10.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.481 ' O ' HD12 ' B' ' 56' ' ' LEU . 32.5 mm-40 -129.98 154.67 81.23 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.68 -30.15 64.94 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.358 2.038 . . . . 10.0 112.575 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -2.07 51.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.18 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -75.7 135.47 40.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' B' ' 25' ' ' ASN . 0.2 OUTLIER -77.19 153.7 33.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.495 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.7 mm -58.54 -40.64 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 10.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.12 -29.06 70.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.198 0.523 . . . . 10.0 110.05 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' B' ' 22' ' ' THR . 11.9 m-20 -66.01 -41.95 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.46 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 30' ' ' ILE . 20.5 t -62.62 -39.19 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.525 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.01 -42.48 98.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.379 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.32 94.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.501 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.29 -35.89 82.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.271 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.542 HG12 HD11 ' B' ' 15' ' ' LEU . 83.6 mt -72.36 -37.09 57.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.238 0.542 . . . . 10.0 109.663 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.25 -44.7 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -4.82 50.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.502 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -99.68 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.582 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.28 -12.96 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.24 71.1 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.532 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -84.98 126.44 67.93 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.603 -0.147 . . . . 10.0 110.603 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.481 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 48.7 Cg_exo -55.2 133.49 58.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.516 2.144 . . . . 10.0 111.564 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.35 -18.56 63.42 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.82 2.347 . . . . 10.0 112.881 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.97 -42.33 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.46 18.52 4.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.348 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.2 mt-30 -99.79 105.04 16.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.913 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -104.53 100.11 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 mt -91.68 116.63 29.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.962 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -113.48 128.85 70.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.045 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -112.53 95.18 5.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.351 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.61 35.53 24.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.641 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.83 -19.51 54.31 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.106 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -86.61 114.68 23.53 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.3 130.74 42.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.1 mt -88.26 116.03 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 10.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 26.2 mt-10 -85.53 132.96 34.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.189 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.64 -36.99 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 28.6 5.75 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.906 -0.664 . . . . 10.0 114.635 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 15.5 mmt180 -127.85 165.74 19.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.548 0.674 . . . . 10.0 110.274 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -103.86 168.71 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.763 -0.458 . . . . 10.0 109.763 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -66.56 -33.46 75.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.956 0.407 . . . . 10.0 110.453 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -71.23 -11.62 61.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.662 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.04 -27.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.802 0.335 . . . . 10.0 111.259 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.426 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.2 m-85 -107.94 14.12 25.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.64 28.88 13.16 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.068 0.855 . . . . 10.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' B' ' 59' ' ' TYR . 73.8 mt -78.25 120.27 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.2 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.29 -163.29 0.85 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.154 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -74.76 149.87 39.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.791 -0.364 . . . . 10.0 111.377 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 68.25 23.0 7.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.047 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -81.37 152.25 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.1 m -107.68 126.35 52.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 10.0 111.254 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -113.68 136.12 53.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.187 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -95.48 115.42 27.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.284 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.18 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.245 0.545 . . . . 10.0 110.723 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.04 128.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.187 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.187 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.646 0.26 . . . . 10.0 110.619 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -68.66 -39.93 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.596 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 10.0 110.457 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.23 -43.35 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.355 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.703 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -59.5 -45.8 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.123 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -63.47 -34.32 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.153 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.489 HG23 HG23 ' C' ' 490' ' ' THR . 81.6 mt -67.03 -41.96 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.073 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.56 -26.47 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.513 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.27 -23.31 51.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.43 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 20.1 mmt -88.64 -38.76 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.873 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.83 78.42 15.91 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.01 63.02 8.66 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.476 2.118 . . . . 10.0 112.469 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -169.58 24.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.703 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.83 136.19 21.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.25 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.52 121.19 9.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.725 2.283 . . . . 10.0 112.517 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -56.57 -37.6 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.623 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -64.22 -27.28 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.979 -0.289 . . . . 10.0 111.307 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 67.8 mt -79.43 -34.4 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.72 -42.94 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.35 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 11.7 mt -66.15 -25.15 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.693 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -69.35 -48.09 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.03 -35.8 81.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.178 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.6 mt-30 -85.69 -7.68 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 10.0 110.898 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.35 -55.31 2.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.019 0.437 . . . . 10.0 110.95 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 50.1 p -79.08 -45.22 20.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.21 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 65.87 44.89 2.67 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.946 0.778 . . . . 10.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.2 t -163.76 135.7 4.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.91 -20.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.151 0.501 . . . . 10.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.66 11.42 12.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.127 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 17.1 mt -129.13 -45.1 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.518 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 51.0 m -56.54 -60.23 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.489 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -69.01 -31.29 70.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.235 0.54 . . . . 10.0 110.686 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.508 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 16.0 t70 -68.69 -59.34 3.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.731 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.7 -32.9 63.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.041 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.1 mt -61.49 -37.63 78.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.826 0.346 . . . . 10.0 110.49 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.39 -26.77 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.526 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.497 ' HG3' HH22 ' A' ' 72' ' ' ARG . 6.6 mm-40 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.416 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -103.44 144.17 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.659 0.266 . . . . 10.0 111.114 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -131.95 164.83 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.784 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' THR . 53.7 m-85 -120.74 125.72 48.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.733 0.301 . . . . 10.0 110.384 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.35 119.43 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -89.4 137.72 32.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.791 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 46.6 p -123.2 165.18 17.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.439 . . . . 10.0 111.092 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.7 -8.85 58.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.83 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.6 14.38 21.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.12 41.83 96.84 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.101 -0.571 . . . . 10.0 112.855 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -133.04 124.97 28.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.802 0.334 . . . . 10.0 110.964 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -99.21 108.68 21.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.61 139.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 128.56 53.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.5 150.36 46.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.937 0.398 . . . . 10.0 111.217 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -99.6 123.7 44.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.976 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.88 -179.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.865 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -142.26 159.13 59.51 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.44 -27.72 69.66 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.328 2.019 . . . . 10.0 112.603 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.79 3.38 45.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.655 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.47 149.27 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 10.0 110.586 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.08 150.47 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.138 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.32 -38.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.772 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.03 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -64.93 -35.34 80.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 10.0 109.888 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 30' ' ' ILE . 72.0 t -63.63 -42.07 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.332 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.27 -41.26 88.45 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.65 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.545 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -64.44 -35.44 80.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.403 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.4 mt -69.75 -38.82 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.081 0.467 . . . . 10.0 109.869 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -72.83 -25.16 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.489 0.661 . . . . 10.0 109.462 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.35 -34.37 63.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -94.33 -49.25 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.02 -45.19 10.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 13.8 26.05 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.302 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -90.81 123.49 64.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -57.33 141.8 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.728 2.286 . . . . 10.0 112.229 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -56.6 -23.56 49.29 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.99 2.46 . . . . 10.0 113.006 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.45 -32.54 74.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.197 0.522 . . . . 10.0 110.509 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 12.75 34.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.664 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -105.12 102.98 12.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.51 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -105.67 96.86 6.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.15 116.63 21.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.213 0.53 . . . . 10.0 111.7 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.56 141.48 26.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.889 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 50' ' ' LEU . 36.4 t80 -137.97 126.61 23.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.233 -0.655 . . . . 10.0 109.233 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 15.87 7.13 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.64 0.588 . . . . 10.0 112.273 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.53 1.01 53.26 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.776 -0.726 . . . . 10.0 113.536 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -122.54 150.5 42.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.188 0.494 . . . . 10.0 110.372 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 10.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.8 mt -92.78 154.37 18.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.148 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 30.3 mt-10 -101.35 140.38 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.321 -0.4 . . . . 10.0 109.926 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.37 -40.8 75.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.78 39.82 2.86 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.891 -0.671 . . . . 10.0 113.564 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.5 mmt180 -133.58 165.04 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.411 . . . . 10.0 110.123 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -112.33 169.69 8.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 18' ' ' GLU . 72.2 mt -65.89 -28.79 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 10.0 110.894 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 m -70.97 -25.63 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.141 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -65.7 -27.91 68.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.955 0.407 . . . . 10.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.81 6.67 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.927 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.37 51.78 11.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.585 0.707 . . . . 10.0 110.343 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -92.39 110.15 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.071 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -87.59 -170.39 3.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.795 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -76.78 153.66 34.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.926 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.53 23.61 11.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.163 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 m -83.94 150.53 25.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.019 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.5 m -104.59 116.72 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.97 0.414 . . . . 10.0 111.541 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -99.95 133.91 43.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -91.26 115.65 28.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.703 0.287 . . . . 10.0 110.904 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 51.0 tp -93.78 101.53 13.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.13 0.491 . . . . 10.0 109.944 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.2 t -86.31 120.94 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.653 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.42 149.85 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 16.8 ttt180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 120.694 0.283 . . . . 10.0 111.289 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -106.15 130.73 53.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.044 0.449 . . . . 10.0 111.74 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -118.11 160.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.303 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.46 107.82 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.024 0.44 . . . . 10.0 111.354 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -94.58 115.05 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -99.72 116.96 33.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.153 0.502 . . . . 10.0 111.503 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.21 162.4 26.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.846 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.26 -21.5 63.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.288 . . . . 10.0 111.055 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -9.78 59.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.691 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 -10.13 61.36 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.29 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -68.05 135.18 51.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.822 0.344 . . . . 10.0 110.726 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -107.17 114.77 29.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.448 . . . . 10.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.65 127.6 51.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.885 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.11 129.42 36.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.013 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD11 HG12 ' B' ' 30' ' ' ILE . 11.8 mt -130.6 132.46 45.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.169 0.509 . . . . 10.0 111.573 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -91.68 104.27 16.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.517 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' B' ' 1' ' ' MET . 25.1 m -134.59 170.23 20.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.619 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -125.92 150.68 69.74 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.95 -35.21 24.49 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.056 2.504 . . . . 10.0 113.915 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.9 3.02 24.15 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.883 0.697 . . . . 10.0 112.883 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.63 149.76 29.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.85 145.12 27.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.884 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.46 -39.02 66.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.832 0.348 . . . . 10.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.76 -38.94 86.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.772 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -66.27 -35.69 81.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.194 0.521 . . . . 10.0 109.656 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 45.3 t -64.45 -46.27 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.596 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.57 -36.98 85.58 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.356 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -64.04 -38.53 91.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.46 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -67.0 -28.4 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.581 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 48.7 mt -71.83 -34.33 51.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.265 0.555 . . . . 10.0 109.803 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 1.5 pt20 -69.4 -27.73 65.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.0 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -43.26 43.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -72.79 -50.45 24.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.676 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -91.71 -79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.855 0.36 . . . . 10.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.39 23.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.312 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 10.9 mt -101.82 128.03 29.76 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.5 Cg_exo -57.46 139.13 89.2 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.508 2.139 . . . . 10.0 112.545 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 30.1 Cg_exo -61.27 -21.51 71.96 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.73 2.287 . . . . 10.0 112.497 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -9.5 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.82 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -117.86 16.79 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.63 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -125.54 123.96 40.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.964 0.412 . . . . 10.0 111.716 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -115.0 128.01 56.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.631 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -106.16 125.26 50.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.638 0.256 . . . . 10.0 111.108 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.32 128.23 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.306 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -131.3 124.23 30.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.369 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.81 25.94 15.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.794 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 1.77 83.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.12 -0.562 . . . . 10.0 112.543 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -114.7 143.08 45.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.667 0.27 . . . . 10.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.14 137.7 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.303 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' B' ' 45' ' ' PHE . 55.0 mt -89.28 128.24 35.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.328 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.89 145.17 25.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.113 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -68.68 -18.5 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.802 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.69 23.28 31.36 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.445 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -130.67 169.97 14.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.134 0.492 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 29.6 p -108.02 177.28 4.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.377 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 18' ' ' GLU . 17.0 mt -73.56 -36.34 65.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -72.02 -7.72 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.362 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.3 m-20 -70.78 -50.37 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.061 0.458 . . . . 10.0 110.193 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -93.41 15.13 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.09 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 64.12 27.71 14.09 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.384 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.2 mt -69.92 121.89 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 10.0 109.836 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.91 -172.65 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.109 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -66.63 158.58 29.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.589 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 61.1 16.36 7.06 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.62 -0.718 . . . . 10.0 112.652 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -91.36 135.88 33.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.47 117.75 30.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.153 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.0 137.14 41.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -92.38 126.01 37.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.768 0.318 . . . . 10.0 110.182 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.48 113.63 27.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.292 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -98.05 132.6 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.841 -179.623 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.023 -0.362 . . . . 10.0 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.57 -46.5 88.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.868 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.36 93.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.157 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -70.17 -42.06 72.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.41 79.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -58.28 -37.96 76.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.874 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' C' ' 467' ' ' MET . 21.2 tp60 -65.85 -40.11 91.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -34.96 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.993 0.425 . . . . 10.0 110.115 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -63.0 -25.14 68.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.737 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.58 -18.48 48.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.676 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 36.8 mmm -92.69 -45.91 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.342 0.592 . . . . 10.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.68 88.8 35.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.314 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.98 29.75 0.5 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.19 2.593 . . . . 10.0 112.294 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.21 10.84 4.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.243 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.9 p -117.13 130.77 24.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 10.0 110.453 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 46.7 Cg_exo -57.33 128.19 28.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.331 2.021 . . . . 10.0 112.223 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -56.89 -39.26 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 10.0 111.922 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -65.46 -22.27 66.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.715 0.293 . . . . 10.0 111.453 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 475' ' ' LEU . 23.6 mt -82.75 -35.82 26.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 19.1 t -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 10.0 109.797 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 79.7 mt -65.57 -16.87 64.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.02 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -80.61 -48.63 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.566 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' C' ' 480' ' ' LEU . 1.0 OUTLIER -57.22 -23.33 47.19 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.195 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 67.4 mt-30 -79.41 -18.78 51.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 10.0 111.187 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.86 -43.08 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.493 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.6 p -81.82 -45.76 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.711 0.291 . . . . 10.0 111.224 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.43 23.12 11.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.3 t -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.89 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.63 -29.19 46.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.156 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -60.4 -35.9 76.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.611 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 6.5 mt -87.99 -35.6 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.431 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.8 m -60.87 -52.85 63.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.747 0.308 . . . . 10.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -33.76 75.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.797 0.332 . . . . 10.0 110.955 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 18.5 t0 -69.32 -43.51 73.57 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.83 -34.17 67.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.88 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 489' ' ' THR . 87.7 mt -64.64 -46.01 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.757 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.72 66.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 12.0 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.701 -0.227 . . . . 10.0 111.069 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.4 ptt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -91.61 132.01 36.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -120.3 150.81 22.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.68 116.26 31.63 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.7 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -109.43 121.98 63.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -102.99 148.52 25.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.997 0.427 . . . . 10.0 111.39 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -111.94 166.03 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.9 -19.19 65.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.395 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -13.79 59.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.1 15.53 38.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.403 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -102.45 130.91 49.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.632 0.253 . . . . 10.0 110.631 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -105.08 130.43 53.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.641 0.258 . . . . 10.0 110.546 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 mt -112.6 137.11 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.632 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.93 124.16 47.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.368 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -123.93 147.57 47.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 10.0 111.564 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -98.45 110.43 23.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.761 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.1 m -138.52 166.1 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.124 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.9 mm-40 -123.55 159.1 56.85 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.47 -29.01 38.13 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.563 2.175 . . . . 10.0 113.466 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 3.4 31.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.215 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.08 136.8 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.991 0.424 . . . . 10.0 110.193 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 149.41 26.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.55 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.39 -37.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.207 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.1 -44.04 91.93 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.944 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -64.39 -35.03 79.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 10.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 30' ' ' ILE . 42.5 t -65.04 -40.72 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.719 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -59.2 -40.97 87.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.051 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.26 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.612 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.89 -36.89 84.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.494 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 26' ' ' VAL . 80.3 mt -68.68 -41.0 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.241 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.43 -33.5 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.785 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.55 -24.0 67.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.476 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -106.77 -45.43 4.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.61 -40.58 13.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.08 39.61 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.592 -0.814 . . . . 10.0 112.754 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.56 122.62 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.7 Cg_exo -55.51 143.39 78.35 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.855 2.37 . . . . 10.0 112.499 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.6 Cg_exo -62.65 -17.77 60.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.965 2.444 . . . . 10.0 112.497 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.76 -34.68 78.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -100.97 3.1 41.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.125 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -87.82 95.81 10.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.827 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -99.32 93.52 5.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 10.0 109.604 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 50' ' ' LEU . 44.7 mt -80.97 125.48 30.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.446 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.27 138.93 50.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.263 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -132.19 118.57 19.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.245 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.46 19.84 10.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.79 -0.641 . . . . 10.0 112.412 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -10.98 55.14 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.699 -0.763 . . . . 10.0 113.027 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -110.39 151.0 28.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.85 0.325 . . . . 10.0 110.425 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.64 150.87 29.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 111.258 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.3 mt -100.08 138.42 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.633 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.72 135.77 33.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.742 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.97 -43.71 77.83 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.5 16.98 11.49 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.867 -0.682 . . . . 10.0 114.03 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -116.15 158.51 23.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.504 0.652 . . . . 10.0 110.741 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.5 p -98.48 178.54 4.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.1 mt -72.4 -36.49 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 109.886 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.6 m -65.86 -22.82 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.691 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -60.53 -31.68 70.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.25 14.9 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.812 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 61.48 28.75 18.01 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.401 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.58 106.42 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 10.0 110.662 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.45 -164.62 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 157.03 38.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.632 0.253 . . . . 10.0 111.4 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.58 29.49 13.08 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.929 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.2 m -92.13 148.09 22.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.945 0.402 . . . . 10.0 110.59 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -112.31 124.39 52.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.507 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.02 143.37 35.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.024 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 43.3 m80 -104.75 121.51 43.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.509 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.7 tp -100.31 103.64 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.076 0.465 . . . . 10.0 110.378 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.5 t -98.48 136.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.019 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.32 128.28 43.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.6 ttt180 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.753 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -101.49 130.99 47.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 10.0 111.124 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -118.39 158.71 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.04 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.68 110.65 17.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.154 0.502 . . . . 10.0 111.459 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -102.1 122.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.54 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 90.4 mttt -109.42 127.09 54.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.213 0.53 . . . . 10.0 111.129 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 163.04 15.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.309 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.87 -19.76 53.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -6.67 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 10.0 111.499 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -3.51 63.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.708 . . . . 10.0 112.478 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 81.0 tttt -67.79 137.84 55.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.923 0.392 . . . . 10.0 111.263 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -112.77 103.81 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.991 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.98 129.64 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.915 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -102.58 123.12 45.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.429 HD11 HG12 ' B' ' 30' ' ' ILE . 12.3 mt -126.62 145.03 50.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.962 0.411 . . . . 10.0 111.778 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.54 114.37 26.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.579 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.1 m -135.43 -175.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.529 ' O ' HD12 ' B' ' 56' ' ' LEU . 20.7 mm-40 -139.97 157.49 69.28 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.07 -37.86 69.2 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.32 2.013 . . . . 10.0 112.992 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.94 131.26 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 10.0 110.11 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.8 OUTLIER -70.48 142.39 51.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.903 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 30.0 mm -54.75 -42.63 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.995 0.426 . . . . 10.0 110.505 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.95 -38.81 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.942 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -72.42 -34.21 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 52.5 t -62.38 -47.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.0 ptmt -71.31 -21.91 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.719 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.98 69.6 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 67.6 mttt -67.85 -35.9 79.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 HD11 ' B' ' 15' ' ' LEU . 30.1 mt -71.03 -32.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 10.0 110.602 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.53 -12.7 55.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.029 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -99.13 -54.54 2.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -91.52 -29.57 16.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.845 0.355 . . . . 10.0 111.096 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.94 9.65 58.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.861 -0.685 . . . . 10.0 112.636 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.43 125.92 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 18.2 Cg_endo -61.69 137.44 68.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.51 2.14 . . . . 10.0 112.55 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.3 Cg_exo -58.8 -28.91 88.38 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.01 2.473 . . . . 10.0 113.024 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.67 -29.17 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.413 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.75 17.87 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.892 0.377 . . . . 10.0 110.36 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -108.22 108.36 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.634 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -114.24 115.13 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.147 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.29 132.48 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.81 133.4 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.57 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.0 t80 -129.22 123.08 31.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.206 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.29 21.45 10.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.03 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.86 -10.04 64.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -100.91 133.37 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.516 0.198 . . . . 10.0 110.667 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -77.34 129.13 35.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 34.3 mt -82.09 133.1 35.26 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.065 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 44.4 mt-10 -83.43 149.65 26.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.713 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -46.02 88.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.18 51.89 4.45 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.774 -0.727 . . . . 10.0 113.675 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.497 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 27.5 mmt180 -136.94 170.21 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.952 0.376 . . . . 10.0 110.493 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.22 160.17 16.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.818 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.529 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.1 mt -66.05 -40.19 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.552 0.215 . . . . 10.0 111.545 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.72 -39.52 94.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.873 0.368 . . . . 10.0 111.456 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -98.6 14.89 26.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.394 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 62.66 27.44 16.16 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.0 mt -77.01 119.51 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.0 0.429 . . . . 10.0 110.403 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -130.61 -163.79 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.571 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.94 159.1 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 65.45 4.58 2.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.467 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -84.73 134.06 34.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.731 0.301 . . . . 10.0 110.45 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.619 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.21 137.38 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.666 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -99.22 135.87 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.2 tp -111.18 115.62 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.066 0.46 . . . . 10.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.3 t -111.99 134.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.118 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.837 0.351 . . . . 10.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.83 -47.16 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.477 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.27 99.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 24.7 mtm -65.16 -40.12 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 10.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.68 81.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.418 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.21 -38.42 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.083 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -67.7 -36.38 80.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 36.2 mt -70.44 -35.62 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.925 0.393 . . . . 10.0 110.328 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -63.05 -25.87 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.513 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.67 -17.06 59.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.421 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 82.4 mmm -98.53 -41.37 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.106 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.447 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.8 m-85 -131.95 86.34 47.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.385 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.38 40.43 0.97 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.683 2.255 . . . . 10.0 112.565 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -141.96 14.21 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 10.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.447 HG12 ' O ' ' C' ' 468' ' ' PHE . 7.4 p -113.37 131.08 23.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 120.58 8.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.789 2.326 . . . . 10.0 112.643 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -53.39 -40.81 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.441 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -66.54 -20.63 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.621 0.248 . . . . 10.0 111.639 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' C' ' 478' ' ' GLN . 29.1 mt -87.68 -30.69 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.85 -43.15 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 10.0 109.552 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.13 -23.6 67.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' C' ' 478' ' ' GLN . 2.1 tt0 -71.95 -54.66 9.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.52 -37.98 82.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.646 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -20.81 57.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.729 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -86.32 -17.66 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 10.0 111.062 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.93 -47.74 4.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.382 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 24.4 p -84.18 -44.82 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 10.0 110.541 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.89 18.31 9.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.649 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 66.8 m -145.5 118.04 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.519 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.64 -28.59 23.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.866 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -56.82 -54.36 47.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.166 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.76 -23.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.499 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.7 m -70.19 -54.33 13.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.411 0.523 . . . . 10.0 112.411 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.8 m -60.22 -34.24 73.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.919 0.39 . . . . 10.0 110.503 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.472 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 29.7 t70 -73.86 -38.16 64.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.742 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -54.4 -32.77 57.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.827 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.6 mt -65.13 -44.26 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.82 -24.82 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.749 179.532 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -98.04 125.96 43.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.329 . . . . 10.0 110.856 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -117.2 153.94 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 66' ' ' THR . 98.5 m-85 -117.03 120.14 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.909 0.385 . . . . 10.0 110.58 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 t -109.64 120.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -104.84 134.3 48.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.968 0.414 . . . . 10.0 110.935 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.53 HG22 HD23 ' A' ' 69' ' ' LEU . 41.3 p -99.71 165.28 11.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 71' ' ' LEU . 9.6 mt -65.32 -13.15 57.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 10.0 110.901 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -12.39 59.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.376 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.75 11.47 57.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.571 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -95.58 139.7 31.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.586 0.231 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.71 108.9 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.081 0.467 . . . . 10.0 110.243 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -89.92 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.476 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -118.4 135.13 54.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 10.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.39 141.36 39.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.094 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -98.74 89.45 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.664 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 1' ' ' MET . 6.1 m -121.38 157.49 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.562 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.92 154.26 37.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.19 -32.71 51.32 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.588 2.192 . . . . 10.0 113.387 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.82 0.42 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -84.23 143.97 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.74 148.8 26.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.46 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.63 -39.99 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.176 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 -36.49 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.86 -38.03 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.858 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -41.35 91.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.057 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -57.59 -41.47 81.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.004 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.8 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 10.0 110.235 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -67.47 -32.7 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.346 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.5 -37.15 63.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.41 -35.49 80.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.177 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.147 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -85.9 -53.9 4.83 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.57 -28.84 24.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.93 57.41 Favored Glycine 0 C--N 1.323 -0.186 0 C-N-CA 120.278 -0.963 . . . . 10.0 111.771 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -100.38 121.09 54.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.1 Cg_exo -57.13 141.41 94.32 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.425 2.083 . . . . 10.0 111.974 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.9 Cg_exo -55.56 -23.97 42.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.908 2.405 . . . . 10.0 111.844 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -27.36 66.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.642 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.29 11.0 21.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.45 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.14 92.41 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 10.0 111.309 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -96.32 97.75 9.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.26 126.11 31.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.212 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.4 mp -124.84 139.18 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.048 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -132.83 112.03 11.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.195 -0.669 . . . . 10.0 109.195 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.56 17.96 11.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.31 -8.35 48.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.883 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -107.68 138.95 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.648 -0.325 . . . . 10.0 110.661 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 149.4 38.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 10.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -100.03 136.39 40.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.516 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.08 137.31 33.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.233 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.15 -42.0 84.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.275 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.8 47.2 3.75 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.727 -0.67 . . . . 10.0 112.943 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mmt-85 -142.04 159.39 42.33 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 p -102.78 165.3 11.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.41 -30.82 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.154 0.502 . . . . 10.0 110.475 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -23.8 63.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.535 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.46 -27.55 68.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.2 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -107.95 8.25 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 62.15 32.45 17.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.314 -0.857 . . . . 10.0 110.978 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.8 mt -75.6 109.01 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -95.93 -174.33 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.228 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 63.1 pttt -71.84 155.89 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.76 -0.2 . . . . 10.0 110.748 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 68.88 7.53 6.24 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.8 0.688 . . . . 10.0 112.219 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 m -77.76 141.36 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 4.0 m -100.94 117.54 35.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.969 0.414 . . . . 10.0 110.574 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -96.11 143.74 26.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.833 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -99.86 129.44 45.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.659 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD23 HG22 ' A' ' 7' ' ' THR . 46.8 tp -112.21 105.39 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.976 0.417 . . . . 10.0 110.425 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 44' ' ' ILE . 54.7 t -86.64 127.84 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.07 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 8' ' ' LEU . 18.2 mt -84.44 145.36 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.0 0.429 . . . . 10.0 111.366 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 20.9 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -108.76 144.02 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.06 0.457 . . . . 10.0 111.566 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 pt -124.83 162.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.571 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.93 106.33 11.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 10.0 111.516 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.31 123.83 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -108.54 128.57 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.937 0.399 . . . . 10.0 111.156 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -96.86 172.35 7.93 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.69 -8.1 52.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.989 0.423 . . . . 10.0 111.055 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -2.01 53.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.88 0.96 87.3 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.029 -0.605 . . . . 10.0 112.231 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.49 125.37 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.13 129.01 48.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.803 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.63 123.76 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 128.21 36.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.237 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.64 148.96 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 10.0 111.015 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -97.95 121.32 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.549 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.4 m -142.05 169.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.956 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 56' ' ' LEU . 64.7 mm-40 -128.83 160.75 61.62 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.86 -23.46 50.96 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.106 1.87 . . . . 10.0 112.57 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -91.42 7.57 40.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.588 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -78.48 136.28 37.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -84.06 147.32 27.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.216 178.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.607 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 51.2 mm -58.25 -40.85 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.24 -36.2 72.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.66 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.9 t30 -70.3 -36.88 74.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.16 -35.01 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.612 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 6.2 mmmm -61.06 -39.0 88.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.66 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.46 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.486 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 29.8 mttt -65.0 -40.67 95.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.31 -38.48 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 10.0 109.536 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.84 -44.59 89.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.9 -8.74 57.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 10.0 111.638 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -106.29 -48.76 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.501 -0.48 . . . . 10.0 112.102 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -102.64 -13.39 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 23.12 70.93 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.528 -0.844 . . . . 10.0 112.763 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.4 mt -87.28 131.7 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.742 -0.269 . . . . 10.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 26.8 Cg_exo -59.95 130.68 35.76 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.564 2.176 . . . . 10.0 112.24 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.5 Cg_exo -59.88 -26.58 82.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.811 2.341 . . . . 10.0 112.737 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -101.43 15.32 29.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.198 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.573 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 66.2 mt-30 -98.88 88.41 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.735 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 47.8 mtt180 -97.3 98.07 9.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.078 0.466 . . . . 10.0 110.222 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.46 126.39 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.677 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.32 127.82 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.311 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.3 t80 -120.94 111.24 17.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.564 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.3 29.87 18.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.976 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.35 -10.53 71.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.608 -0.806 . . . . 10.0 112.725 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.49 132.31 43.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.659 0.266 . . . . 10.0 110.461 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -79.71 130.65 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.0 mt -88.48 114.96 25.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.914 0.387 . . . . 10.0 111.017 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -81.46 151.72 27.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.879 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.27 -46.48 90.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.24 46.73 3.26 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.156 -0.545 . . . . 10.0 112.478 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 38.1 mmt180 -137.14 160.88 37.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 41.7 p -109.2 170.23 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.245 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -69.2 -20.85 63.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.609 . . . . 10.0 109.582 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.96 -5.7 59.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.356 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.3 OUTLIER -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.232 179.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 44.5 m-85 -105.14 7.1 33.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.709 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.43 61.77 1.94 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.622 0.725 . . . . 10.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.67 118.64 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.041 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.22 178.76 5.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.9 pttp -73.22 160.61 31.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 62.12 25.0 14.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.818 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -92.22 150.55 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.405 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -93.28 119.77 32.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.73 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.99 115.88 30.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.382 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -81.63 132.35 35.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.721 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -112.38 112.14 23.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.557 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 33.8 t -108.98 135.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.251 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -70.44 -41.28 73.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.989 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.47 98.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.374 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 54.2 mtm -67.32 -35.92 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.487 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.08 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.523 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -58.7 -42.01 87.63 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.365 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.284 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 87.4 mt -71.25 -36.7 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.577 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -61.39 -34.01 74.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.716 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.73 -31.21 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.931 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 45.8 mtm -77.67 -35.76 52.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.137 0.494 . . . . 10.0 111.107 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.468 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.4 m-85 -116.69 82.81 13.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.518 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.94 40.18 0.71 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.779 2.319 . . . . 10.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.63 26.09 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.154 0.502 . . . . 10.0 110.619 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.468 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.6 p -128.31 134.9 26.77 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.324 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.52 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.4 Cg_exo -61.99 119.87 7.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.343 2.029 . . . . 10.0 111.936 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.46 -38.54 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.282 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -65.99 -24.48 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.647 -0.251 . . . . 10.0 111.226 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.52 HD12 ' HG2' ' C' ' 472' ' ' PRO . 36.2 mt -82.07 -35.21 28.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.69 0.281 . . . . 10.0 110.432 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.4 t -63.74 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.88 -26.91 68.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.976 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.81 -50.34 51.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.4 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.39 -35.7 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.462 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -26.47 61.29 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.371 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -85.05 -12.33 53.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.923 0.392 . . . . 10.0 110.942 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.6 mm? -100.91 -53.52 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.8 p -77.31 -39.55 47.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.688 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 62.64 24.03 14.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.838 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 t -158.85 129.31 5.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.021 0.439 . . . . 10.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 23.7 m -62.8 -17.57 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.228 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -79.41 -13.31 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.811 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . 0.494 HG22 ' ND2' ' C' ' 492' ' ' ASN . 0.7 OUTLIER -114.84 -39.38 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.739 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 15.6 m -55.25 -64.95 0.68 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.434 . . . . 10.0 111.857 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.42 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -56.68 -38.31 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.829 -178.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 32.8 t70 -64.4 -49.71 70.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 10.0 110.396 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . 0.494 ' ND2' HG22 ' C' ' 488' ' ' ILE . 11.1 m-80 -61.81 -38.89 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.642 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.23 -41.44 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.225 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -30.64 71.68 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.046 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 38.2 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.376 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.803 0.335 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 16' ' ' GLU . 59.8 mm-40 -98.35 136.53 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.61 161.76 38.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.625 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -114.05 134.47 54.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t -111.68 113.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.856 0.36 . . . . 10.0 110.189 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -90.79 127.48 36.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.717 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -112.5 169.92 8.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.956 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.37 -12.79 60.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.18 0.514 . . . . 10.0 110.743 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -8.38 56.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.378 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.75 6.83 82.35 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.681 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -88.8 104.86 17.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.811 0.338 . . . . 10.0 110.532 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -82.24 104.04 12.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 10.0 110.139 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.66 145.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 128.42 56.3 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.43 148.54 52.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.924 0.392 . . . . 10.0 111.389 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB2' ' NE2' ' A' ' 2' ' ' GLN . 22.5 tt0 -104.2 112.32 25.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.848 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.46 -169.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.652 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.6 mm-40 -143.33 156.15 60.94 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.27 -35.1 62.58 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 10.0 112.743 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -11.11 60.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.197 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.18 152.41 44.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.961 0.41 . . . . 10.0 110.516 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.42 26.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.102 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.87 -38.98 54.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.965 0.412 . . . . 10.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.427 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 21.4 tt0 -57.92 -38.22 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.485 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -74.47 -33.04 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.087 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 99.6 t -64.06 -45.18 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.225 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 19.7 mtmt -63.38 -34.09 76.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.516 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.886 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.22 -36.29 83.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.07 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 26' ' ' VAL . 89.4 mt -65.29 -41.09 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.17 0.51 . . . . 10.0 109.771 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.97 -30.0 70.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.46 -24.25 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.188 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.45 -46.2 3.9 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -81.74 -35.75 29.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.72 -5.99 79.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.076 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.7 119.7 78.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.33 -0.248 . . . . 10.0 110.33 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.8 Cg_exo -55.74 143.88 78.57 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.397 2.064 . . . . 10.0 112.254 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.8 Cg_exo -59.17 -14.39 23.72 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.826 2.351 . . . . 10.0 112.665 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -43.29 99.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -94.5 4.62 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.383 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -88.47 105.82 17.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -107.56 101.35 10.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.44 133.6 33.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.824 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.18 139.2 51.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.16 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.5 t80 -133.94 120.85 20.85 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.01 16.93 10.28 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.749 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.0 5.53 53.24 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.636 -0.792 . . . . 10.0 113.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -125.57 144.84 50.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.196 0.498 . . . . 10.0 110.691 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.84 145.96 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.607 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 45' ' ' PHE . 47.1 mt -101.14 134.23 44.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.55 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.9 mt-10 -89.62 136.29 33.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.724 0.297 . . . . 10.0 110.676 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 24' ' ' GLU . 1.3 m-20 -58.01 -27.87 63.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.36 -2.58 90.25 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.002 -0.618 . . . . 10.0 113.332 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 33.1 mmt180 -103.0 160.89 14.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.173 0.487 . . . . 10.0 110.234 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 55.3 p -103.8 170.12 8.11 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.895 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.5 mt -65.17 -31.22 72.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.889 0.376 . . . . 10.0 110.585 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.87 -22.32 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.926 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.8 m-20 -65.48 -33.72 76.6 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.34 11.37 38.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.35 38.98 25.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.015 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.5 mt -83.61 121.17 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.366 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -111.02 -169.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.744 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -70.25 154.21 42.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.909 0.385 . . . . 10.0 111.451 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.49 29.24 13.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.651 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -101.5 147.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -104.14 128.12 51.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.192 0.52 . . . . 10.0 111.575 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.52 132.92 51.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.219 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -91.14 118.61 30.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.914 0.388 . . . . 10.0 110.758 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -101.72 103.92 14.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.049 0.452 . . . . 10.0 110.15 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.4 t -91.48 129.16 42.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.316 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -96.96 142.13 29.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.681 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 120.942 0.401 . . . . 10.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -123.5 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 10.0 110.896 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.7 pt -122.29 168.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.329 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.04 114.1 21.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.42 118.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -102.72 129.9 49.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.945 0.402 . . . . 10.0 111.18 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.5 p -94.92 163.48 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -13.44 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -9.99 55.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.231 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.95 20.26 26.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 10.0 113.373 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -102.89 138.81 39.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.079 0.439 . . . . 10.0 110.315 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -112.38 115.51 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 10.0 110.174 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mt -98.81 133.11 42.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.16 122.26 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.71 151.36 51.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.204 0.526 . . . . 10.0 112.253 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 130.82 35.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.508 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -153.46 167.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 10.0 110.695 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -142.62 155.44 63.54 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.091 -1.077 . . . . 10.0 108.091 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 51.1 Cg_exo -53.08 -24.82 26.72 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.364 2.043 . . . . 10.0 113.226 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 4.24 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 10.0 112.071 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -85.33 142.12 29.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 10.0 110.393 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.1 m -89.12 144.69 25.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.582 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 54' ' ' ARG . 52.2 mm -54.13 -39.0 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 120.916 0.388 . . . . 10.0 111.277 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.52 -43.91 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.673 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.81 -36.91 84.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.87 -44.85 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.881 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -65.92 -34.05 77.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.409 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.32 89.04 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.131 0.491 . . . . 10.0 109.793 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.31 -40.11 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.65 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.9 mt -67.84 -33.12 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.054 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.63 -30.81 71.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.463 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.85 -30.44 50.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.087 0.47 . . . . 10.0 110.57 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.53 -50.42 9.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 10.0 112.198 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -97.41 -43.25 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.9 26.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.379 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.4 121.04 84.34 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.483 0.183 . . . . 10.0 110.775 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.95 150.97 60.55 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.737 2.291 . . . . 10.0 112.161 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.45 -17.53 54.19 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.155 2.57 . . . . 10.0 112.991 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.43 -27.64 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.045 0.45 . . . . 10.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -101.44 12.29 37.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.361 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -112.19 123.17 49.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.884 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -133.14 107.84 8.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -95.77 133.8 39.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 10.0 112.012 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.98 123.28 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.952 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.599 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -111.81 113.46 25.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.157 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.46 32.21 20.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.945 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 8.34 69.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.839 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -114.75 116.0 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.762 -0.257 . . . . 10.0 110.484 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.26 126.58 29.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.1 mt -84.38 127.49 34.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.915 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 83.7 mt-10 -84.88 143.43 29.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.58 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.52 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.28 20.41 33.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.613 -0.804 . . . . 10.0 114.084 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.497 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 14.9 mmt180 -120.02 165.7 14.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.731 0.766 . . . . 10.0 110.885 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -108.01 -177.35 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.128 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 36.4 mt -68.34 -42.18 79.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.74 0.305 . . . . 10.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -63.86 -26.54 68.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 10.0 111.359 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.09 -37.19 79.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.123 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.25 11.89 30.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.61 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 63.07 30.1 16.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.533 0.52 . . . . 10.0 111.156 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.417 HG12 ' CD2' ' B' ' 45' ' ' PHE . 55.9 mt -74.61 118.44 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.475 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -128.47 178.92 5.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.297 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -68.0 172.03 6.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.736 0.303 . . . . 10.0 111.055 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 62.67 19.25 11.23 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.236 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -124.62 140.34 53.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.61 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -98.51 141.28 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.684 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.18 139.01 48.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -98.0 127.6 44.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.92 115.77 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 10.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -97.95 125.84 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.693 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.57 -179.666 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' C' ' 480' ' ' LEU . 53.6 mt . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.588 0.232 . . . . 10.0 110.793 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.17 -46.38 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 26.6 mtm -64.77 -43.2 94.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 10.0 110.352 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.96 87.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 10.0 110.678 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -60.58 -39.19 87.15 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -66.02 -40.69 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.117 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.506 HD11 HG12 ' C' ' 486' ' ' VAL . 96.0 mt -68.37 -36.56 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -63.26 -22.4 66.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.156 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.68 -23.83 49.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.313 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.0 mmm -91.96 -39.91 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.982 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.579 ' O ' HG12 ' C' ' 471' ' ' VAL . 57.7 m-85 -124.73 92.3 48.04 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.6 6.18 5.62 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.702 2.268 . . . . 10.0 111.654 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -108.28 10.69 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.288 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.579 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -115.09 132.04 23.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 32.3 Cg_exo -60.23 125.2 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.459 2.106 . . . . 10.0 112.489 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.68 -40.01 62.48 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.287 0.635 . . . . 10.0 112.096 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 35.9 p-80 -65.05 -30.76 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.722 -0.217 . . . . 10.0 111.439 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.39 -34.46 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.9 t -64.81 -45.22 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 14.9 mt -64.78 -26.23 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.47 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.436 ' HA ' ' NE2' ' C' ' 481' ' ' GLN . 0.0 OUTLIER -71.26 -45.97 61.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.83 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.423 ' OD1' HG23 ' C' ' 489' ' ' THR . 13.6 t70 -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.478 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.45 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -56.8 -25.99 56.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.31 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 47.7 mt-30 -76.26 -12.65 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.198 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.452 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 3.2 mm? -111.61 -48.44 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.71 -0.223 . . . . 10.0 111.422 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 8.2 p -75.18 -39.46 60.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 10.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' C' ' 482' ' ' LEU . 2.1 mpt_? 63.07 24.37 14.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.101 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t -170.9 132.9 0.89 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.765 0.317 . . . . 10.0 111.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.506 HG12 HD11 ' C' ' 464' ' ' ILE . 17.6 m -61.79 -21.36 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.549 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.26 -21.66 66.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.065 0.46 . . . . 10.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -40.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.287 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.45 HG21 HD22 ' C' ' 480' ' ' LEU . 9.7 m -52.7 -56.42 15.66 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 -40.75 75.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.356 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.37 -37.38 60.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 10.0 110.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -55.56 -40.04 71.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.15 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.31 -43.88 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.998 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.264 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 10.0 111.151 179.518 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.878 0.371 . . . . 10.0 110.148 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.49 133.79 35.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.392 . . . . 10.0 110.624 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -120.31 154.15 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -113.12 115.21 27.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.608 -0.269 . . . . 10.0 110.936 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.91 118.61 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -101.4 133.61 45.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.734 0.302 . . . . 10.0 110.884 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 69' ' ' LEU . 33.2 p -102.94 166.91 10.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.001 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' C' ' 463' ' ' GLN . 11.4 mt -67.08 -17.66 64.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 10.0 110.871 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.72 2.51 37.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.04 37.85 48.97 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.948 -0.644 . . . . 10.0 111.519 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -115.63 132.38 56.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -104.64 108.61 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 10.0 110.326 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.61 129.74 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.604 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.74 126.67 52.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.16 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -126.19 148.13 49.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.836 0.351 . . . . 10.0 111.012 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -101.84 97.39 7.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.025 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.4 m -128.85 179.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.007 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -129.83 154.07 81.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.93 -16.29 25.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.849 2.366 . . . . 10.0 113.719 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.54 0.95 50.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -84.1 155.83 22.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.372 0.605 . . . . 10.0 111.801 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.35 146.19 24.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.261 -0.882 . . . . 10.0 110.446 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.05 -41.05 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.923 0.392 . . . . 10.0 110.669 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.45 -31.65 70.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.3 -34.15 59.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 10.0 110.285 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.36 -41.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.623 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 1.9 mmmm -60.74 -38.45 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.417 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.42 93.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.388 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -65.47 -37.32 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.847 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.12 -35.4 71.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.143 0.497 . . . . 10.0 109.899 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.64 -33.68 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.813 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -83.37 4.79 25.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.814 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -115.62 -51.19 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.467 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -102.39 -16.38 16.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.788 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.24 5.5 82.67 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.629 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 67.3 mt -82.9 124.38 76.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 122.084 0.154 . . . . 10.0 110.635 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.8 Cg_exo -59.68 147.26 92.77 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.73 2.287 . . . . 10.0 111.733 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -60.01 -23.83 74.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.726 2.284 . . . . 10.0 112.414 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -23.08 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -103.73 5.98 36.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.079 0.466 . . . . 10.0 110.908 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 77.4 mt-30 -101.73 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.401 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NE ' HD22 ' C' ' 494' ' ' LEU . 2.4 ttt180 -120.44 92.53 3.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -76.89 120.49 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.971 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.98 135.7 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.776 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.3 t80 -138.65 131.4 29.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 25.24 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.444 0.465 . . . . 10.0 111.806 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 22.09 59.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -140.76 158.1 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.637 -0.331 . . . . 10.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.22 137.87 31.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.814 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 45' ' ' PHE . 32.3 mt -91.76 152.57 20.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.43 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -96.92 150.52 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.966 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.8 -42.4 81.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.034 0.445 . . . . 10.0 110.546 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.73 54.6 4.97 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.749 -0.739 . . . . 10.0 112.191 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -145.37 157.3 44.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.75 156.37 18.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.73 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 18' ' ' GLU . 83.7 mt -61.21 -27.36 68.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.111 0.481 . . . . 10.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -26.56 64.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.788 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -69.55 -25.05 63.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.907 0.384 . . . . 10.0 111.216 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -105.56 5.97 31.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 10.0 110.197 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 t30 56.06 44.96 24.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -83.93 113.56 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.093 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.52 -169.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.366 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.05 154.57 41.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.685 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 64.59 24.76 13.07 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.454 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 140.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 124.56 49.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.772 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.14 143.88 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.092 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -99.35 125.43 45.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 7' ' ' THR . 59.0 tp -96.46 92.39 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.083 0.468 . . . . 10.0 110.525 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 54.2 t -78.79 122.81 34.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.357 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.88 131.43 36.42 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 3.3 ttt180 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 10.0 110.839 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -108.41 143.04 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.094 0.473 . . . . 10.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -128.47 165.49 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.302 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' B' ' 66' ' ' THR . 49.2 m-85 -119.98 120.24 35.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 10.0 111.001 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.31 118.49 52.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -103.01 126.98 50.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.975 0.416 . . . . 10.0 111.326 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.557 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -92.31 169.07 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.667 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.57 -22.35 66.28 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.833 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.18 4.96 32.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.856 0.36 . . . . 10.0 111.466 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.43 44.65 32.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.335 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.557 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 65.6 tttt -115.67 120.78 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -95.82 105.35 17.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.023 0.439 . . . . 10.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.43 132.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.288 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.8 114.12 26.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.052 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.4 148.19 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.045 0.45 . . . . 10.0 111.909 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.8 126.81 41.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.653 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 m -142.36 -177.65 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.773 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 14.9 mm-40 -147.26 162.81 31.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.25 -33.51 75.77 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.577 2.185 . . . . 10.0 112.286 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 13.49 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.081 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 1.5 t0 -85.79 134.31 33.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 147.05 26.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.662 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 48.4 mm -58.31 -39.89 75.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 10.0 110.369 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.0 -33.96 74.06 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.679 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.2 t30 -69.89 -37.49 76.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.883 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.5 -36.87 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.038 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 5.2 mmmm -58.27 -37.29 74.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.298 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.38 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 74.6 mttt -65.19 -42.26 93.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.82 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.81 -34.47 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.613 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tt0 -68.85 -32.86 72.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.46 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.62 -27.3 63.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 10.0 110.29 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -87.27 -63.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.908 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -85.44 -36.52 20.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.57 15.03 48.28 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.82 128.07 57.63 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.686 -0.257 . . . . 10.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.6 Cg_exo -54.46 139.82 74.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.925 2.417 . . . . 10.0 112.46 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.5 Cg_exo -60.22 -20.86 64.01 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.875 2.383 . . . . 10.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -18.74 61.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -108.41 10.18 27.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.13 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -102.6 113.52 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.267 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -115.32 100.37 8.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 mt -88.66 123.0 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.602 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.5 mt -121.27 127.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.315 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -119.48 115.04 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.635 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.7 27.7 14.73 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.66 -6.94 65.3 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 120.695 -0.764 . . . . 10.0 112.99 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -103.32 125.74 50.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.835 0.318 . . . . 10.0 110.66 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.91 122.62 25.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 23' ' ' ILE . 46.4 mt -71.32 139.77 50.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.121 -178.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -94.04 135.35 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.891 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.41 -25.66 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.85 30.67 6.41 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.925 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -134.26 166.61 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 10.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.4 p -109.7 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.951 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.4 mt -67.27 -36.89 82.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.562 0.22 . . . . 10.0 111.263 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -64.53 -24.91 67.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.471 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -65.49 -26.1 67.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.96 0.409 . . . . 10.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 94.3 m-85 -108.18 5.97 26.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.376 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 61.66 33.91 17.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.496 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' B' ' 59' ' ' TYR . 96.8 mt -78.51 115.24 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.62 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -99.19 -171.25 2.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.965 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -72.06 162.65 29.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.585 0.231 . . . . 10.0 110.88 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 63.38 20.98 12.57 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.922 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.3 m -83.26 144.63 29.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.623 0.249 . . . . 10.0 110.364 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 24.4 m -105.63 120.51 41.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.46 . . . . 10.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.69 135.15 48.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.14 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -93.09 120.01 32.93 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.75 106.85 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.039 0.447 . . . . 10.0 110.973 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 130.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.474 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.489 -179.746 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.714 0.292 . . . . 10.0 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -67.0 -43.49 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.378 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.9 88.48 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.63 -38.79 77.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.63 95.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.653 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -56.29 -38.56 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.719 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 25.5 tp60 -63.13 -37.12 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.03 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.5 -36.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.368 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -65.11 -22.28 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.621 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.66 -12.73 60.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.897 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 38.7 mtm -107.19 -47.89 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.441 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.1 m-85 -117.33 100.92 53.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.01 -0.5 9.61 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.583 2.189 . . . . 10.0 112.733 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.95 31.46 3.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.729 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.441 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.5 p -133.77 132.37 21.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.3 126.45 20.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.389 2.06 . . . . 10.0 111.925 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.93 -38.52 72.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.939 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.44 -29.81 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.483 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.55 -35.31 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 10.0 110.022 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.37 -40.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.409 0.623 . . . . 10.0 109.343 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.39 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.988 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -49.96 16.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.441 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.44 -36.27 83.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -26.82 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -91.15 -2.12 57.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.21 -51.34 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.295 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 62.0 p -89.68 -39.17 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.707 0.289 . . . . 10.0 111.144 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 62.82 32.1 16.08 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.604 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 26.0 t -150.94 115.51 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.315 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -60.77 -28.89 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.769 0.319 . . . . 10.0 111.457 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.52 -15.09 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.722 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . 0.476 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 48.1 mt -107.94 -40.01 4.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.171 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -56.23 -58.06 9.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -38.76 82.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.343 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.501 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 16.1 t0 -67.42 -48.27 67.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 37.3 t30 -52.33 -44.31 65.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.953 -1.022 . . . . 10.0 110.472 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.58 -43.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.28 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.423 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -64.41 -27.72 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.314 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 9.3 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.683 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -116.05 138.99 50.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.262 -0.274 . . . . 10.0 110.262 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' THR . 36.6 pt -127.03 159.69 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.2 m-85 -114.42 120.63 40.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.935 0.398 . . . . 10.0 110.513 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.04 126.32 52.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.189 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.81 121.22 41.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.197 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -100.3 162.21 13.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.237 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -70.02 -13.77 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.874 0.369 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -10.37 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.929 0.395 . . . . 10.0 111.114 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.74 7.67 61.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.805 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -91.97 128.59 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.682 0.277 . . . . 10.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -102.69 130.81 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -119.51 130.19 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.871 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 2.8 m -96.28 105.96 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.28 140.53 30.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.662 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.23 107.0 18.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.105 -1.072 . . . . 10.0 108.105 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.65 -178.45 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.874 0.369 . . . . 10.0 111.137 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.5 mm-40 -143.3 158.61 57.64 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.71 -35.64 48.36 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.473 2.115 . . . . 10.0 113.11 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.6 1.0 24.12 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.64 132.89 36.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -82.01 145.4 30.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.291 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.49 -34.98 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.888 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.97 -31.28 71.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.773 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.84 -37.11 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 10.0 109.981 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' THR . 58.4 t -59.33 -45.94 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.323 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -68.76 -24.65 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.563 . . . . 10.0 109.774 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.83 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.291 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.65 -36.98 85.26 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -70.04 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.539 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.503 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 39.1 tt0 -68.3 -30.13 69.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.088 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.07 -37.45 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.135 0.493 . . . . 10.0 110.87 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.03 -70.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.856 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.49 -36.7 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.6 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.05 32.86 8.1 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.517 -0.849 . . . . 10.0 112.134 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.0 mt -100.39 126.73 35.03 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.16 141.26 80.54 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.898 2.398 . . . . 10.0 112.076 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.06 -28.91 65.74 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 10.0 112.276 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.24 -20.92 64.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.151 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.92 12.66 28.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.061 0.458 . . . . 10.0 110.622 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -109.07 103.83 12.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.504 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -103.63 102.79 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.99 126.29 34.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.388 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.515 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' A' ' 50' ' ' LEU . 46.8 t80 -137.98 124.72 21.05 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 21.1 11.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.955 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 1.41 64.01 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.145 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -120.28 151.21 39.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.64 -0.329 . . . . 10.0 110.752 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 151.82 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 10.0 110.742 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 45' ' ' PHE . 40.8 mt -101.56 146.56 27.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.662 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -93.81 144.11 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.585 -0.279 . . . . 10.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.83 -47.13 85.9 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.53 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.194 -0.526 . . . . 10.0 113.01 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -140.15 153.73 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -101.63 167.39 10.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.807 0.337 . . . . 10.0 110.37 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 18' ' ' GLU . 56.3 mt -66.12 -31.56 72.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.279 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -21.76 64.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.255 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 10.0 110.934 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -104.29 12.26 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.426 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 62.91 29.43 16.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.213 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.86 125.13 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.981 0.42 . . . . 10.0 110.231 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.87 -166.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.538 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -72.43 148.58 45.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.94 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.76 22.95 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.214 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -82.41 142.4 31.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -97.65 120.79 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.135 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -105.5 130.65 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 38.6 m80 -92.24 125.06 36.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.964 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 tp -103.46 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.945 0.402 . . . . 10.0 110.35 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.26 131.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -89.03 148.0 23.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.716 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -115.39 138.39 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.927 0.394 . . . . 10.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -124.28 161.9 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.139 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.32 118.56 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.53 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.33 124.0 64.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 20.5 mtpp -105.49 131.62 52.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.007 0.432 . . . . 10.0 110.943 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -88.9 165.19 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.598 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.35 -21.84 65.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.866 0.365 . . . . 10.0 110.968 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.6 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.628 . . . . 10.0 111.446 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.47 4.13 34.94 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 87.1 tttt -84.68 142.91 29.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -117.77 114.12 22.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.764 0.316 . . . . 10.0 110.307 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.12 135.47 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.109 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.44 130.33 38.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 10.0 109.988 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.47 HD11 HG12 ' B' ' 30' ' ' ILE . 87.0 mt -124.8 145.06 49.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.05 0.453 . . . . 10.0 111.09 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -97.69 110.12 22.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.649 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.87 177.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.903 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.527 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -139.05 160.46 62.54 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -35.32 90.07 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.578 2.185 . . . . 10.0 113.312 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 7.42 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.176 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.39 163.04 28.25 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.082 0.468 . . . . 10.0 110.599 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -107.99 143.69 36.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.083 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.4 -42.43 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.595 0.236 . . . . 10.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.99 -39.6 82.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.695 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -65.55 -37.18 85.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.301 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 22' ' ' THR . 47.3 t -65.06 -39.42 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.044 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.47 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 1.9 mmmm -60.47 -39.58 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.892 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.52 87.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.638 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.93 -34.01 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.228 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.47 HG12 HD11 ' B' ' 15' ' ' LEU . 64.6 mt -71.71 -36.24 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.77 -28.73 64.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.041 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.71 -25.56 61.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.936 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -102.15 -60.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.88 -38.09 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 10.0 111.788 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.17 39.38 6.08 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.133 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -108.85 127.7 26.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 110.408 -0.219 . . . . 10.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.4 Cg_exo -52.79 136.57 59.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.863 2.376 . . . . 10.0 112.275 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.3 Cg_exo -59.83 -22.81 69.86 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.569 2.179 . . . . 10.0 112.437 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.63 -21.66 55.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.707 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -98.72 -8.62 25.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.96 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 73.5 mt-30 -86.33 111.47 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 10.0 112.074 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -111.78 92.17 3.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -80.46 118.54 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.177 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -118.14 126.96 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.105 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -117.76 110.09 17.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.644 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.32 30.01 19.47 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.248 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.33 -17.18 59.46 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.186 -0.53 . . . . 10.0 112.625 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -90.41 125.0 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 10.0 110.847 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.97 136.05 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.48 129.54 41.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.347 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.7 mt-10 -89.07 145.49 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.3 -41.13 83.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.29 42.35 3.08 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.887 -0.673 . . . . 10.0 113.347 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.2 mmt180 -137.15 159.97 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.2 p -101.95 168.71 9.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.2 mt -67.56 -32.72 73.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 10.0 110.672 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.87 -13.32 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.261 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.2 m-20 -67.54 -31.66 71.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.854 0.359 . . . . 10.0 111.112 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.3 m-85 -104.93 13.7 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.142 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.1 t30 62.68 30.39 16.88 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.831 0.707 . . . . 10.0 110.776 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.8 mt -77.47 123.22 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.75 -172.05 1.99 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -69.85 163.71 25.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.459 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 54.49 55.68 7.75 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.2 m -121.75 140.19 52.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.458 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -102.74 131.28 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.935 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.45 156.68 26.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.318 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -115.3 136.62 52.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.21 106.72 16.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.058 0.456 . . . . 10.0 111.138 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.97 124.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.471 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.815 -179.44 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.97 0.414 . . . . 10.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -59.79 -53.7 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.566 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.6 80.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 9.8 ttm -65.64 -38.44 89.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.19 81.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.17 -35.27 76.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.286 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' C' ' 467' ' ' MET . 20.1 tp60 -62.08 -43.21 99.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.94 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.51 -36.34 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.407 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.36 -28.08 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.512 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -74.67 -30.28 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.58 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.508 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 24.7 mmm -79.96 -43.42 22.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.812 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.469 ' O ' HG12 ' C' ' 471' ' ' VAL . 43.0 m-85 -123.2 96.55 44.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.15 12.79 2.84 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.38 2.054 . . . . 10.0 112.403 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.52 19.16 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.423 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.469 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.6 p -123.57 135.33 26.01 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 36.9 Cg_exo -62.9 127.8 21.39 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.42 2.08 . . . . 10.0 112.345 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.01 -43.79 63.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.488 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -63.8 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' C' ' 475' ' ' LEU . 22.5 mt -73.33 -34.6 65.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.2 -43.41 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.52 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 72.3 mt -62.24 -25.72 67.98 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.779 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -72.72 -47.61 45.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.8 t70 -63.13 -35.49 80.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.497 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.31 -19.92 62.34 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.297 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 54.8 mt-30 -86.79 -21.88 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 10.0 110.404 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.32 -55.17 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.683 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.7 p -83.63 -44.98 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.204 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 66.96 23.15 9.91 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.724 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 m -147.43 124.7 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.55 -23.67 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.009 0.433 . . . . 10.0 111.469 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -67.02 -16.06 64.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.131 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 2.8 mt -111.07 -39.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.663 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.423 HG23 ' HB3' ' C' ' 479' ' ' ASP . 26.2 m -58.37 -52.92 63.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.263 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 m -59.7 -39.51 84.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.942 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.07 -33.98 68.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.913 0.387 . . . . 10.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.56 -36.61 71.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.48 -40.25 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.24 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.64 -42.58 82.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.346 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.927 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -113.48 141.53 47.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 10.0 111.379 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -125.93 160.08 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.755 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -117.29 104.05 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.974 0.416 . . . . 10.0 110.994 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.25 134.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.755 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.86 135.83 53.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.922 0.392 . . . . 10.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.0 164.74 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.255 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.41 -21.31 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.909 0.385 . . . . 10.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -5.95 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.246 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.91 1.75 70.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -75.0 138.65 42.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 10.0 111.022 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -108.89 126.29 52.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.953 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -116.47 119.2 61.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.987 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.04 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.57 140.45 26.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 10.0 110.969 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.08 120.68 27.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.849 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.62 176.24 8.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' H ' ' HB2' ' A' ' 21' ' ' ASP . 5.7 mm-40 -138.49 162.13 55.02 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.91 -28.47 77.73 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.388 2.059 . . . . 10.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 5.98 47.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.761 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.6 t0 -74.21 143.64 45.07 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.876 0.37 . . . . 10.0 110.223 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.731 ' HB ' ' OE1' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -91.27 149.08 21.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.887 -179.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.0 -40.38 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.477 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.731 ' OE1' ' HB ' ' A' ' 22' ' ' THR . 8.9 pm0 -64.82 -32.15 73.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 65.2 t30 -69.01 -38.04 79.02 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' THR . 57.6 t -63.62 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -59.48 -42.7 92.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.582 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.49 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.827 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.52 -40.85 92.96 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.02 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -73.95 -37.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 10.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.34 -37.1 84.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.75 -24.15 31.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 10.0 111.293 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -82.94 -49.58 9.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.637 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.3 -38.81 9.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.672 0.249 . . . . 10.0 111.672 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 13.4 22.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.5 -0.857 . . . . 10.0 112.349 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.91 122.94 66.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -57.42 137.74 82.93 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.878 2.385 . . . . 10.0 112.364 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.1 Cg_exo -59.68 -25.91 80.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.076 2.517 . . . . 10.0 112.291 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.32 -22.27 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.504 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -109.17 10.05 25.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.079 0.466 . . . . 10.0 110.433 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -98.53 97.43 8.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -99.28 95.31 6.97 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.68 121.26 27.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.65 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG21 ' CE2' ' C' ' 468' ' ' PHE . 3.5 mp -132.53 127.3 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -122.57 115.6 22.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.313 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.42 37.12 27.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 10.0 112.089 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -14.64 63.78 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.93 -0.652 . . . . 10.0 113.923 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -101.88 127.78 48.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.104 0.452 . . . . 10.0 111.037 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -81.49 142.66 32.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.56 116.69 27.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 138.63 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.514 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.78 -8.76 54.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.71 11.51 61.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.731 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -124.23 178.01 5.56 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.513 -0.404 . . . . 10.0 110.896 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.0 p -115.95 175.83 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.48 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 86.3 mt -67.98 -28.14 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.875 0.369 . . . . 10.0 110.806 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.8 m -71.22 -22.71 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.29 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.02 -26.2 63.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.033 0.444 . . . . 10.0 111.301 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -105.25 8.14 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.942 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.84 37.5 18.55 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.65 0.594 . . . . 10.0 110.889 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.08 116.7 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -101.38 -160.44 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.803 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -80.54 155.79 26.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.47 16.76 10.02 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.343 0.402 . . . . 10.0 111.878 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 m -85.81 150.49 24.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.686 0.279 . . . . 10.0 110.499 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -97.33 136.32 37.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.51 106.36 11.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CB ' ' HB3' ' C' ' 467' ' ' MET . 43.9 m80 -83.56 130.11 34.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.054 0.454 . . . . 10.0 110.967 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.3 tp -109.33 125.96 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.539 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.39 136.73 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.618 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.23 145.76 27.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.302 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.899 0.381 . . . . 10.0 110.606 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.4 ptt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -105.19 134.92 47.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.124 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.05 160.59 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.953 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -121.95 126.53 48.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.521 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -111.13 119.51 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -101.74 119.66 39.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 10.0 110.795 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 69' ' ' LEU . 26.5 p -85.88 170.94 11.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.737 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.525 HD11 HG13 ' B' ' 70' ' ' VAL . 71.7 mt -74.42 -10.09 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 0.29 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 36.75 26.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.1 -0.572 . . . . 10.0 111.985 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -122.45 133.43 54.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.99 140.17 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.565 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -103.58 127.16 51.05 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 30' ' ' ILE . 43.1 mt -130.7 146.02 52.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.872 0.368 . . . . 10.0 111.644 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -96.27 117.39 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.114 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 m -139.21 173.94 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.939 0.4 . . . . 10.0 110.904 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -131.23 158.8 74.21 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.534 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.93 -33.14 81.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.361 2.041 . . . . 10.0 112.673 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -91.44 19.82 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 112.053 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.95 140.56 29.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.7 OUTLIER -82.49 148.38 28.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.178 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.12 -36.95 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.223 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.11 -40.56 90.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.976 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -66.95 -36.0 81.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.871 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 87.4 t -62.98 -42.06 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.96 -37.77 85.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.816 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.27 73.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.755 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 97.1 mttt -72.62 -35.79 67.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.863 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.44 HG12 HD11 ' B' ' 15' ' ' LEU . 62.3 mt -72.04 -39.11 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.437 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 54.7 tt0 -63.03 -32.71 74.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -73.46 -25.81 60.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.822 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -97.07 -44.07 7.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.61 0.596 . . . . 10.0 112.61 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.6 -26.45 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.72 9.44 82.99 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.178 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.5 124.7 60.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 122.084 0.154 . . . . 10.0 110.683 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.8 Cg_exo -54.75 142.13 74.45 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.003 2.468 . . . . 10.0 112.615 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.93 -27.97 86.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.957 2.438 . . . . 10.0 112.762 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -65.81 -18.15 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -110.49 8.99 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.72 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.67 104.66 16.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.37 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -99.37 99.57 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.23 119.76 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.77 127.26 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.184 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -119.81 108.43 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.464 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.16 32.73 22.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.366 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.97 -19.45 54.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.875 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -85.26 130.98 34.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.607 0.242 . . . . 10.0 110.651 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.32 132.01 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.55 139.25 30.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.841 0.353 . . . . 10.0 111.782 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -95.81 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.56 -42.22 82.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 46.81 3.68 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.91 -0.662 . . . . 10.0 113.21 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -140.11 170.24 16.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.65 160.44 17.24 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.7 -37.02 84.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.132 0.492 . . . . 10.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -68.71 -26.27 65.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.333 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -25.51 66.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.478 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -103.1 17.45 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 61.11 31.88 19.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.464 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -88.96 136.07 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.79 0.329 . . . . 10.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.12 -168.92 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -70.71 162.92 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 57.4 mt-10 67.98 7.37 5.76 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.611 0.569 . . . . 10.0 111.633 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.3 m -100.42 133.21 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.886 0.374 . . . . 10.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -100.52 134.93 42.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.091 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -109.14 146.76 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.803 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -98.77 133.26 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 HG22 ' B' ' 7' ' ' THR . 47.5 tp -116.5 113.61 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.12 0.486 . . . . 10.0 111.138 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.525 HG13 HD11 ' B' ' 8' ' ' LEU . 69.5 t -103.46 140.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.809 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.748 0.308 . . . . 10.0 110.453 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.014 0.435 . . . . 10.0 109.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -60.24 -47.09 87.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.03 -37.58 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.59 -42.74 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.723 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.08 86.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.717 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -57.13 -39.0 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.738 -0.664 . . . . 10.0 111.173 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -71.73 -39.89 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.494 HD11 HG12 ' C' ' 486' ' ' VAL . 91.8 mt -63.8 -31.49 53.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.35 -13.55 40.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.587 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -78.61 -53.81 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.491 0.186 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.477 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -70.49 -30.75 67.61 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.001 0.429 . . . . 10.0 110.341 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.506 ' O ' HG12 ' C' ' 471' ' ' VAL . 9.3 m-85 -125.93 78.38 69.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.916 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -84.72 9.95 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.365 2.043 . . . . 10.0 112.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -107.74 9.72 29.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.258 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.506 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -114.68 133.03 22.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.587 -0.278 . . . . 10.0 110.657 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -56.68 126.85 23.61 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.732 2.288 . . . . 10.0 112.241 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.44 -41.76 69.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.406 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -63.44 -28.07 69.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.633 0.254 . . . . 10.0 111.597 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 41.6 mt -79.02 -35.0 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.97 -42.18 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.21 -27.46 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.778 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.47 -49.13 64.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.33 -38.43 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 10.0 110.49 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -27.77 63.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.426 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.05 -3.98 59.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.231 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -112.2 -52.82 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -79.39 -40.55 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.354 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 63.13 37.23 11.58 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.17 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -160.49 129.35 4.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 10.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.494 HG12 HD11 ' C' ' 464' ' ' ILE . 3.1 m -67.49 -27.93 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.928 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -76.8 5.14 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.483 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 29.0 mt -122.61 -42.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.416 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -75.24 -8.07 55.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 10.0 111.594 -179.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.532 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 18.9 t70 -95.12 -61.05 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -26.27 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.907 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 8.1 tt -65.96 -20.35 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.61 0.243 . . . . 10.0 111.267 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -21.09 60.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 10.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.649 -179.21 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -112.13 144.5 41.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.057 0.456 . . . . 10.0 111.456 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -131.7 172.15 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.125 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.0 m-85 -122.79 117.15 25.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.108 0.48 . . . . 10.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.32 115.53 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -96.48 133.96 40.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 10.0 110.826 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.73 164.62 12.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.581 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' HB ' ' C' ' 486' ' ' VAL . 4.8 mt -66.25 -7.17 16.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.917 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -2.01 55.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.154 0.502 . . . . 10.0 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.54 -23.55 35.39 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.355 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.51 140.48 58.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.014 0.435 . . . . 10.0 111.185 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.36 118.28 32.29 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.24 127.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -93.8 110.26 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.88 148.38 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.784 0.326 . . . . 10.0 111.294 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -111.59 103.47 11.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.822 -0.806 . . . . 10.0 108.822 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.57 171.85 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.153 0.502 . . . . 10.0 111.336 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -113.01 159.26 35.31 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.549 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.19 -15.55 40.62 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 122.392 2.061 . . . . 10.0 112.583 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -91.23 -4.03 56.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.491 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.3 132.5 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.705 0.288 . . . . 10.0 110.726 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -83.1 155.32 23.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.131 178.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 47.4 mm -56.54 -38.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.721 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.7 97.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.84 -31.88 72.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.144 0.497 . . . . 10.0 110.18 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 88.8 t -66.8 -45.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 17.5 mtmt -64.21 -33.37 75.64 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.123 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.0 92.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.404 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -63.81 -39.05 93.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.83 -37.47 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.96 -37.85 87.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.52 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.04 -12.95 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.039 0.447 . . . . 10.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -104.75 -73.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.04 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.66 -36.68 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.275 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 29.3 11.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.112 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -104.35 126.72 30.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.11 151.54 58.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.65 2.233 . . . . 10.0 112.414 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 60.9 Cg_endo -72.15 -14.34 28.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.74 2.294 . . . . 10.0 112.579 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.01 -42.45 84.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.277 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -98.67 17.34 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.958 -178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 11.5 mt-30 -104.42 96.9 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.074 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -104.31 109.15 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -90.33 125.65 35.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 10.0 111.335 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.77 138.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.554 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' A' ' 50' ' ' LEU . 66.2 t80 -138.45 121.15 16.34 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.91 25.02 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.493 0.496 . . . . 10.0 111.578 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.43 66.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.885 -0.674 . . . . 10.0 113.547 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -127.34 142.11 51.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.444 -0.445 . . . . 10.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.68 144.79 35.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.94 0.4 . . . . 10.0 111.003 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 45' ' ' PHE . 13.9 mt -96.97 143.2 28.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.825 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 48.3 mt-10 -95.62 145.98 24.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -60.31 -34.38 73.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.903 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.08 29.39 4.27 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.737 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.1 mmt180 -128.01 163.94 23.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.154 0.477 . . . . 10.0 110.072 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.8 p -106.83 172.68 6.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.547 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.99 -30.05 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.263 0.554 . . . . 10.0 109.676 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -69.01 -26.85 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.93 -41.01 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.26 13.53 31.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.66 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 57.2 36.16 27.1 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.516 0.51 . . . . 10.0 111.242 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.29 112.22 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -97.6 -163.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.356 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.56 154.0 32.79 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.168 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.21 14.01 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.683 0.614 . . . . 10.0 112.093 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -77.29 143.1 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.907 -0.317 . . . . 10.0 110.273 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.2 m -98.26 118.52 35.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.897 0.379 . . . . 10.0 110.937 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.81 146.38 30.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.702 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -105.74 135.1 47.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.596 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 HG23 ' A' ' 7' ' ' THR . 53.5 tp -113.05 104.74 12.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.179 0.514 . . . . 10.0 110.855 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.88 135.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 8' ' ' LEU . 39.0 mt -89.52 159.49 17.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.052 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.514 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.8 ttt180 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.927 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -100.71 139.12 36.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.125 0.488 . . . . 10.0 111.256 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.46 165.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.724 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.8 m-85 -116.96 113.55 22.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.771 0.319 . . . . 10.0 111.216 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.82 116.43 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -102.44 133.93 46.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 10.0 111.22 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 p -93.17 169.87 10.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.2 -33.28 74.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.715 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -31.35 70.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.464 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.74 -10.47 9.02 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.66 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.2 123.75 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.737 0.303 . . . . 10.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -103.51 124.51 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.78 131.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.694 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.35 136.95 32.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.519 HD11 HG12 ' B' ' 30' ' ' ILE . 45.6 mt -135.29 146.18 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 10.0 111.557 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -92.4 116.69 29.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.492 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.76 166.34 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.639 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 50.7 mm-40 -124.44 161.87 45.51 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 -24.03 65.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.281 1.988 . . . . 10.0 112.631 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.32 14.55 23.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.457 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -81.91 135.26 35.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 10.0 110.715 -179.741 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.9 OUTLIER -86.58 148.95 25.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.138 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.31 -36.26 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.55 . . . . 10.0 110.445 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.07 -38.83 90.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -71.88 -37.62 70.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.081 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -62.0 -42.38 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.111 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -65.36 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.439 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.79 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.224 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 32.5 mttt -69.35 -37.08 77.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.519 HG12 HD11 ' B' ' 15' ' ' LEU . 37.9 mt -71.67 -31.07 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 10.0 109.584 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 41.9 tt0 -67.11 -26.62 66.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.257 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.94 -28.36 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.011 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -88.35 -54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -91.82 -30.97 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.731 0.271 . . . . 10.0 111.731 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.1 23.3 32.73 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.779 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.17 125.72 55.55 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.852 -0.205 . . . . 10.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -56.26 138.6 83.99 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.762 2.308 . . . . 10.0 112.151 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -59.9 -20.3 59.1 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.145 2.563 . . . . 10.0 113.56 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -18.48 47.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 10.0 110.816 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -104.94 0.17 27.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.977 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -94.0 115.11 27.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.548 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -119.71 102.88 8.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.796 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.71 124.78 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.046 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.92 131.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.544 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.3 t80 -125.01 115.33 20.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.79 28.85 18.58 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.516 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.63 76.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.842 -0.694 . . . . 10.0 112.652 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -96.68 131.38 43.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.818 0.342 . . . . 10.0 110.71 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -79.09 126.5 30.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.103 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.1 mt -83.41 137.15 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.854 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.02 147.48 26.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.26 -50.48 69.39 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.563 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.78 39.26 1.98 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.392 -0.432 . . . . 10.0 113.938 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -139.1 161.16 38.07 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -107.97 170.28 8.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.857 0.36 . . . . 10.0 110.872 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.675 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -28.81 68.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.255 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -62.84 -33.46 75.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.128 0.49 . . . . 10.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -102.56 13.47 34.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.522 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 59.05 32.7 22.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.496 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.28 115.75 23.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.966 0.412 . . . . 10.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.64 -167.62 1.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.009 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 56.4 pttt -77.66 155.37 31.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 69.58 12.62 8.19 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.68 0.613 . . . . 10.0 111.822 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 m -78.88 140.54 38.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 10.0 110.821 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.4 m -99.35 122.22 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.446 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -107.3 144.52 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.917 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -102.1 127.05 49.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.482 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.1 tp -106.44 112.47 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.181 0.515 . . . . 10.0 111.016 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.76 125.86 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.772 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.138 0.494 . . . . 10.0 111.169 -179.457 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.831 0.348 . . . . 10.0 110.394 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -65.96 -44.65 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.379 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.958 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . 0.402 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 31.5 mtm -66.39 -37.88 86.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.425 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.82 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.451 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -60.37 -38.66 84.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.474 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' C' ' 463' ' ' GLN . 0.6 OUTLIER -62.66 -36.11 81.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 110.288 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.49 ' HA ' ' HE2' ' C' ' 467' ' ' MET . 70.7 mt -70.28 -35.45 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.609 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -64.4 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.776 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.74 -24.16 59.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' C' ' 464' ' ' ILE . 47.8 mtm -91.55 -44.5 9.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 10.0 110.256 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -123.9 78.94 57.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.285 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.49 8.62 2.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.293 1.995 . . . . 10.0 112.615 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.71 -19.78 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.458 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.35 130.28 34.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.395 -0.224 . . . . 10.0 110.395 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.52 128.36 27.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.871 2.38 . . . . 10.0 112.931 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.84 -43.03 63.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -63.75 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.573 0.225 . . . . 10.0 111.495 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 22.7 mt -74.38 -32.53 62.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.9 -41.03 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.277 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.57 -29.93 70.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.871 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' C' ' 478' ' ' GLN . 4.8 tt0 -57.56 -56.12 26.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.647 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.2 t70 -67.92 -31.11 70.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.054 0.454 . . . . 10.0 110.343 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.5 OUTLIER -65.71 -13.38 59.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.887 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.11 -24.41 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 10.0 110.062 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.54 -58.55 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.953 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.8 p -87.26 -37.47 17.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.422 . . . . 10.0 109.882 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 10.0 mtt180 63.44 27.7 15.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.121 -0.945 . . . . 10.0 111.701 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.49 126.97 16.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.79 0.329 . . . . 10.0 111.212 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.433 ' HB ' HD22 ' A' ' 8' ' ' LEU . 22.2 m -64.21 -26.1 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.343 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.37 -3.28 36.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 48.0 mt -119.12 -45.25 2.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.884 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.647 HG23 ' HB3' ' C' ' 479' ' ' ASP . 53.1 m -55.51 -62.56 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.719 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -39.39 85.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.246 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.514 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 25.2 t0 -62.72 -50.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.79 -45.96 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.706 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.34 -42.24 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.08 -19.74 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.004 0.43 . . . . 10.0 110.741 178.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.705 -0.479 . . . . 10.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -103.8 137.59 41.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.861 0.362 . . . . 10.0 110.913 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.03 162.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.23 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -115.4 133.44 56.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.48 117.88 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -90.19 141.43 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.087 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -117.13 166.65 11.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.728 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.73 -7.27 51.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.24 -9.48 38.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.78 0.324 . . . . 10.0 111.156 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.2 17.87 41.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.841 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -104.84 128.2 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.814 0.34 . . . . 10.0 110.744 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.22 108.89 21.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 10.0 110.138 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mt -89.68 151.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.393 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 129.09 49.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.395 -0.595 . . . . 10.0 109.395 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -137.04 156.2 48.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 10.0 111.192 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -100.49 120.79 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.413 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.2 m -140.72 177.37 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.91 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.8 mm-40 -135.75 158.85 73.28 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.98 -34.87 58.53 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.789 2.326 . . . . 10.0 113.621 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 m -85.8 10.66 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.11 149.07 33.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.4 145.06 24.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.847 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.28 -40.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.23 -36.72 80.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.013 0.435 . . . . 10.0 110.11 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.6 t30 -67.23 -37.28 83.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.791 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.42 -39.85 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.16 -41.04 97.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.215 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.81 82.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.959 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 80.0 mttt -67.96 -33.97 75.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.21 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.86 -38.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.525 0.679 . . . . 10.0 109.25 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.33 -52.33 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.066 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -81.85 48.32 1.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.745 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -161.91 -58.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.482 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.16 -27.69 19.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.64 49.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.799 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.9 mt -95.62 121.16 62.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 27.2 Cg_exo -61.25 137.76 72.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.687 2.258 . . . . 10.0 112.052 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.51 -23.8 33.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.284 2.656 . . . . 10.0 112.88 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.45 -30.98 71.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.072 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.43 -4.81 33.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.686 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -84.91 102.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.28 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.45 ' CZ ' HD22 ' C' ' 494' ' ' LEU . 12.4 ttt180 -104.19 87.47 2.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.69 125.38 26.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.405 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.79 141.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.958 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -137.14 116.35 12.58 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 22.38 13.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.543 0.527 . . . . 10.0 111.378 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' HE22 ' C' ' 470' ' ' GLN . . . 91.97 11.23 60.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 10.0 113.272 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -126.08 146.45 49.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.21 147.7 28.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.96 0.41 . . . . 10.0 111.389 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -97.6 134.56 40.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.299 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -84.91 136.62 33.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.738 0.304 . . . . 10.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.79 -39.35 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.921 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.26 39.01 2.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.323 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -135.33 162.76 31.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 63.7 p -108.79 168.89 9.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.261 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.8 mt -63.94 -34.13 77.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 10.0 110.389 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -22.59 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.142 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -65.03 -41.87 94.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.993 0.425 . . . . 10.0 110.554 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.37 8.36 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.512 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 t30 63.41 32.01 14.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 10.0 111.126 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -75.72 124.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.997 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.13 -163.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.987 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -68.35 149.54 49.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.249 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 71.61 2.41 4.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.737 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -68.55 135.25 51.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.802 0.334 . . . . 10.0 110.395 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -101.68 115.34 30.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.097 0.475 . . . . 10.0 110.951 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -94.03 149.29 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.663 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -112.54 121.53 45.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.679 0.276 . . . . 10.0 110.521 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.9 tp -97.39 103.51 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.462 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.68 129.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.454 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -89.85 119.95 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.517 -179.455 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.872 0.367 . . . . 10.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -99.41 135.4 40.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.414 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.09 156.83 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.934 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.4 m-85 -115.72 112.32 21.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.38 109.87 26.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.301 -0.409 . . . . 10.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -99.01 125.23 44.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 10.0 110.987 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.48 162.08 16.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.621 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -56.28 -28.28 58.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.701 0.286 . . . . 10.0 111.6 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -10.95 60.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.924 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.71 -24.05 29.57 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.372 -0.691 . . . . 10.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -56.82 124.94 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.197 -0.501 . . . . 10.0 110.99 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -110.7 111.69 23.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -95.09 132.82 38.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.183 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -98.88 119.59 37.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -123.13 151.73 41.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.001 0.429 . . . . 10.0 110.968 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -105.57 119.77 39.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.57 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.3 m -138.17 172.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.93 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -126.01 158.43 66.0 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.35 -28.41 53.24 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.395 2.064 . . . . 10.0 112.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.15 10.4 14.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.977 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.36 142.31 27.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.4 p -92.87 153.42 18.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.772 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 47.8 mm -58.68 -39.17 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.458 . . . . 10.0 109.82 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.82 -37.46 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.656 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -73.57 -38.03 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.437 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.03 -43.05 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.439 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 44.5 mtpt -62.43 -33.75 75.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.087 0.47 . . . . 10.0 110.606 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.62 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.44 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -72.63 -36.74 68.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.211 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.25 -36.48 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.36 0.6 . . . . 10.0 109.385 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -68.17 -29.12 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.339 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.0 -43.0 36.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -86.37 -51.73 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.69 0.281 . . . . 10.0 111.603 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.05 10.36 14.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.49 -0.862 . . . . 10.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -88.13 122.24 70.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 55.0 Cg_exo -52.08 140.56 49.97 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.187 2.591 . . . . 10.0 112.291 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.4 Cg_exo -57.16 -35.21 98.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.874 2.383 . . . . 10.0 112.781 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -29.28 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 10.0 111.052 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.55 2.21 54.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.943 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -99.13 123.77 43.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.291 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -119.34 100.95 7.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -89.58 121.64 31.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.94 134.82 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.741 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 65.8 t80 -132.49 118.15 18.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.043 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 22.29 13.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.18 -19.54 51.12 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.659 -0.781 . . . . 10.0 113.369 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 25.3 pttt -97.3 138.53 34.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.175 0.487 . . . . 10.0 110.62 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.32 134.58 35.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.9 mt -88.43 132.52 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.181 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.98 148.96 25.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.599 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.27 -40.12 95.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.595 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.45 3.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.114 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 24.8 mmt180 -138.26 160.49 39.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.8 p -104.22 165.5 11.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.256 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.6 mt -65.8 -31.22 72.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.062 0.458 . . . . 10.0 110.287 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -22.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.815 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -70.16 -27.39 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 10.0 111.242 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.419 ' CD2' HD22 ' B' ' 50' ' ' LEU . 85.5 m-85 -106.8 7.11 30.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.53 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 61.87 40.08 13.01 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.797 0.686 . . . . 10.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.8 mt -81.76 115.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.841 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.26 -164.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.673 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 151.63 38.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.741 -0.209 . . . . 10.0 110.493 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 70.66 6.58 5.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.197 0.599 . . . . 10.0 112.016 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -66.43 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 10.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.7 m -101.03 115.42 30.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.561 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -103.23 147.34 27.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.89 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.3 128.67 47.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.268 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 tp -106.16 104.13 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 10.0 110.72 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.59 141.39 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.76 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 10.0 110.969 -179.232 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . 0.439 HD22 HD12 ' C' ' 480' ' ' LEU . 22.0 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.645 0.26 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.18 -39.69 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.849 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.67 91.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.826 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 30.6 mtm -68.49 -38.68 81.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.514 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.02 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.546 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -60.43 -44.35 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.683 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -64.28 -35.24 80.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.907 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.481 HD11 HG12 ' C' ' 486' ' ' VAL . 71.6 mt -68.1 -36.55 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -62.9 -29.74 71.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.355 0.598 . . . . 10.0 110.046 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -68.12 -33.91 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 10.0 111.106 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 2.5 mmm -83.45 -42.36 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.53 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.497 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.23 92.39 42.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.552 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.3 10.75 3.1 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.394 2.063 . . . . 10.0 113.5 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . 0.442 HE22 ' HA3' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -115.41 17.67 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 10.0 111.421 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.497 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.8 p -119.93 128.43 25.87 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . 0.514 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.8 Cg_exo -59.73 132.6 46.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 10.0 112.523 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.26 -44.63 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.885 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -63.58 -31.53 72.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.514 HD12 ' HG2' ' C' ' 472' ' ' PRO . 21.9 mt -74.02 -30.64 62.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.887 0.375 . . . . 10.0 110.071 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.4 t -71.07 -42.25 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.76 -31.17 71.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.429 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' C' ' 478' ' ' GLN . 6.3 tt0 -61.02 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.409 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.6 t70 -71.63 -37.68 70.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . 0.439 HD12 HD22 ' C' ' 457' ' ' LEU . 0.2 OUTLIER -57.12 -36.78 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.11 179.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -88.21 0.99 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.008 0.432 . . . . 10.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -54.33 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.4 p -89.82 -35.47 15.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.434 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 65.07 28.25 12.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.743 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.4 t -147.44 118.05 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.361 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.481 HG12 HD11 ' C' ' 464' ' ' ILE . 17.5 m -61.77 -27.37 42.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.918 0.39 . . . . 10.0 110.929 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.78 -25.84 65.8 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.838 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -96.22 -40.85 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.126 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.524 HG23 ' HB3' ' C' ' 479' ' ' ASP . 85.5 m -57.31 -55.19 37.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.487 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -29.59 70.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.731 0.301 . . . . 10.0 110.607 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.17 -40.18 74.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 10.0 109.945 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.336 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 44.0 mt -78.25 -37.47 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 10.0 109.978 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.45 HD22 ' CZ ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -65.5 -45.24 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.426 -0.806 . . . . 10.0 111.298 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.557 -179.399 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.3 ptt? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -94.29 135.88 35.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.889 0.376 . . . . 10.0 111.101 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -121.03 163.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.053 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -119.59 116.41 25.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.17 116.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.47 140.09 29.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.816 0.341 . . . . 10.0 110.085 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.0 p -115.6 168.2 10.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.52 -10.19 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.45 1.52 57.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.684 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 7.08 87.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.271 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -92.11 142.42 27.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.01 0.405 . . . . 10.0 110.513 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -108.83 108.09 18.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.955 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.25 125.13 41.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.594 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -100.94 131.52 46.78 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.67 151.44 48.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 10.0 111.516 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.38 112.43 24.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 1' ' ' MET . 18.2 m -132.18 162.28 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.1 mm-40 -121.81 155.26 60.51 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -50.78 -34.15 43.49 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 122.381 2.054 . . . . 10.0 113.465 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -84.27 5.6 26.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.14 154.49 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.004 0.431 . . . . 10.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 143.93 29.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.659 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.61 -39.69 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 10.0 110.478 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.33 -38.6 80.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.652 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -67.79 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.93 -40.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.603 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.75 -37.81 85.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.858 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.61 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.491 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.04 -40.54 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.019 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -67.03 -38.44 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.78 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -65.91 -35.88 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.016 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.28 -34.16 70.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.177 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -83.55 -53.27 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -85.08 -52.35 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.15 5.5 17.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.525 -0.845 . . . . 10.0 111.891 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.13 123.35 68.84 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.6 143.76 87.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.617 2.211 . . . . 10.0 112.19 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.1 Cg_exo -57.73 -24.45 63.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 10.0 112.656 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.15 -30.64 69.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.442 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -103.73 15.74 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.091 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.37 101.95 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 10.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' HD22 ' C' ' 494' ' ' LEU . 35.2 mtt180 -104.57 91.89 4.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.316 0.579 . . . . 10.0 109.489 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -77.79 127.7 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.954 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.22 137.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.195 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB3' HD21 ' A' ' 50' ' ' LEU . 84.1 t80 -137.43 122.46 19.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.36 27.04 16.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.31 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -7.99 80.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.119 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -104.58 145.52 30.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.2 143.18 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.2 mt -92.56 139.45 30.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.754 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 143.81 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 10.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.93 -26.08 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.09 11.37 65.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.733 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -119.26 164.65 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.128 0.464 . . . . 10.0 110.718 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -105.89 179.48 4.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.735 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.1 mt -69.21 -37.21 77.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 10.0 111.476 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -15.82 63.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.39 -22.52 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -114.91 9.15 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.47 36.37 17.2 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.483 -0.78 . . . . 10.0 111.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.33 110.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.12 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -96.48 -172.83 2.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.768 0.318 . . . . 10.0 111.523 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 64.95 15.44 9.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.82 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 153.49 38.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.719 0.295 . . . . 10.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.7 m -102.87 119.98 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 10.0 111.238 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.63 141.18 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 50.1 m80 -104.49 121.43 43.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.968 0.413 . . . . 10.0 110.971 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -97.48 98.9 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 10.0 110.208 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.9 t -87.02 128.43 39.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 30.1 mt -78.78 159.08 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.393 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.71 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -115.62 137.38 52.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.957 0.408 . . . . 10.0 111.199 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -123.45 169.09 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.668 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -121.97 133.83 54.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.742 0.306 . . . . 10.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.4 117.05 53.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.738 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -97.42 132.62 42.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.028 0.442 . . . . 10.0 110.465 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 1.2 p -99.52 170.34 8.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.607 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.6 -14.5 62.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.382 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -7.5 58.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.813 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.74 9.98 63.68 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.02 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.447 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 82.9 tttt -87.0 127.34 35.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.294 . . . . 10.0 110.701 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -105.02 103.64 13.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.34 143.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.215 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -104.07 132.16 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -133.19 145.89 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 10.0 111.669 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -91.7 122.12 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.732 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.6 m -142.72 170.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.661 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.8 mm-40 -131.09 163.72 47.21 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.93 -33.71 89.79 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 121.963 1.775 . . . . 10.0 112.037 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.25 9.75 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.136 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.582 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -76.55 128.93 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 10.0 110.523 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.11 145.3 35.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.18 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.42 -38.47 63.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.221 0.534 . . . . 10.0 109.736 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.95 -34.13 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.79 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.4 -35.43 73.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.303 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.694 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.3 mmmm -62.51 -38.23 89.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.83 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . . . -69.43 -30.18 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.64 -36.39 65.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.115 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -71.8 -39.26 67.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.14 -25.43 66.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.392 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.09 -46.88 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.101 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -79.37 -46.82 16.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -89.96 -41.74 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.127 0.788 . . . . 10.0 113.127 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.43 41.42 5.77 Favored Glycine 0 C--N 1.322 -0.226 0 C-N-CA 120.205 -0.997 . . . . 10.0 111.527 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.74 129.27 24.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.93 126.54 18.93 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.743 2.295 . . . . 10.0 112.386 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -54.43 -28.43 54.09 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.899 2.399 . . . . 10.0 113.227 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -14.97 62.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.344 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -105.18 -3.33 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.01 0.433 . . . . 10.0 110.542 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.511 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 77.9 mt-30 -89.66 106.58 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.168 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -109.79 102.26 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.7 122.8 31.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.337 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.68 128.0 75.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.428 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -105.2 100.5 10.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.969 0.414 . . . . 10.0 111.179 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.77 18.53 4.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.725 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.32 -27.7 6.0 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.201 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -88.73 116.74 27.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 10.0 110.41 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.29 135.6 52.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.216 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -92.13 129.46 38.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.281 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -94.73 134.14 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.667 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.87 -34.22 40.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 19.52 10.42 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.178 -0.534 . . . . 10.0 113.726 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -124.83 167.71 14.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.097 0.449 . . . . 10.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.47 162.61 14.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.009 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.25 -36.76 83.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 10.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.473 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.3 -41.8 96.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -89.15 4.15 49.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.013 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 61.38 31.56 19.17 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.094 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.13 113.34 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.066 0.46 . . . . 10.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.99 -170.12 1.59 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.622 -0.717 . . . . 10.0 109.196 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 12.2 pttp -69.75 166.19 19.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.8 mp0 77.13 -27.26 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.697 0.623 . . . . 10.0 111.343 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -62.54 133.54 55.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 10.0 111.289 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.0 m -104.71 127.42 52.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.678 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.47 141.68 31.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.783 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.74 120.06 37.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -102.39 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.005 0.431 . . . . 10.0 111.294 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.82 123.85 56.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.811 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.916 -179.269 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.789 0.328 . . . . 10.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -62.47 -45.69 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.36 81.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.3 mtm -62.08 -37.41 84.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.26 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.964 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.4 -33.93 77.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.865 0.364 . . . . 10.0 110.043 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.54 -37.24 86.56 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 72.6 mt -72.5 -38.52 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.89 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.5 -33.31 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.6 -21.92 61.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.458 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 56.0 mmm -91.04 -43.34 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.748 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.442 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.5 OUTLIER -120.92 82.63 36.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.794 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.97 43.76 1.54 Allowed 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.937 2.425 . . . . 10.0 112.578 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -146.94 17.61 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.475 . . . . 10.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.442 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.5 p -123.22 135.66 26.21 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.575 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 129.49 32.3 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.202 1.935 . . . . 10.0 111.778 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -54.89 -43.36 73.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 10.0 112.018 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -65.83 -27.19 68.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.67 0.272 . . . . 10.0 111.581 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.09 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.919 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.38 -38.56 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.796 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.53 -49.22 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.279 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.77 -34.17 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.878 -0.329 . . . . 10.0 110.887 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -30.47 69.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 10.0 110.74 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -81.39 -10.2 59.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 10.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.41 -56.6 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.44 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.4 p -80.01 -39.23 30.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.333 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 65.12 28.74 12.22 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 12.5 t -150.34 120.79 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.904 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.53 -26.36 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.95 -22.44 63.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.15 -34.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.706 -0.225 . . . . 10.0 111.509 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.4 ' O ' HG13 ' C' ' 493' ' ' ILE . 86.8 m -62.63 -60.08 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.694 0.257 . . . . 10.0 111.694 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -34.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.504 0.669 . . . . 10.0 111.046 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 17.8 t0 -70.05 -49.37 51.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.947 -1.024 . . . . 10.0 111.68 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -53.88 -28.38 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.769 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.4 HG13 ' O ' ' C' ' 489' ' ' THR . 77.4 mt -64.62 -39.43 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 10.0 110.389 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . 0.504 HD22 ' HD3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.81 179.687 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.985 0.421 . . . . 10.0 110.06 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -93.64 140.18 29.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.309 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.5 165.64 27.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.004 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' THR . 56.8 m-85 -116.77 114.88 24.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.651 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.98 115.32 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -96.05 137.65 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.847 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -113.4 172.04 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD22 ' HB ' ' C' ' 486' ' ' VAL . 35.1 mt -64.77 -17.99 64.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.056 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 p -89.64 0.34 57.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 10.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 -5.49 84.8 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.135 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HE3' HG12 ' A' ' 13' ' ' ILE . 61.2 tttp -71.24 134.67 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.748 0.309 . . . . 10.0 110.521 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -113.86 109.78 19.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.232 0.539 . . . . 10.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.461 HG12 ' HE3' ' A' ' 11' ' ' LYS . 6.1 mt -88.86 138.3 19.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.285 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.91 120.02 40.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.742 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.9 150.47 52.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.996 0.427 . . . . 10.0 111.832 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.26 113.49 25.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.321 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 1' ' ' MET . 16.1 m -133.39 169.59 21.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.372 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 28.7 mm-40 -133.92 158.72 74.75 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.09 -37.29 68.45 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.294 1.996 . . . . 10.0 112.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.73 7.38 8.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.462 0.541 . . . . 10.0 112.462 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -81.75 132.48 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.29 142.09 36.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.605 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -52.87 -41.07 38.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.901 0.381 . . . . 10.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.52 -42.7 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.618 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.26 -36.44 84.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.16 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' ILE . 96.4 t -61.11 -44.93 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.786 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -64.28 -32.71 74.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.5 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.03 90.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.148 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.29 -39.13 91.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.888 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 26' ' ' VAL . 40.3 mt -71.5 -38.07 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.651 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -83.14 -52.91 6.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.854 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -77.28 -67.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.875 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.29 12.32 4.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.337 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.45 126.61 63.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.6 Cg_exo -50.93 143.12 31.61 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.782 2.321 . . . . 10.0 112.623 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 Cg_exo -61.93 -19.09 64.63 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.725 2.283 . . . . 10.0 113.492 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.18 -20.52 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 10.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 89.9 mt-30 -97.67 1.96 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 10.0 109.803 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.54 101.87 13.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.308 -0.86 . . . . 10.0 109.958 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 9.9 mtp180 -98.25 108.53 21.25 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.1 mt -88.66 119.52 29.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.004 0.43 . . . . 10.0 110.929 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.7 mp -114.83 133.45 60.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.33 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.715 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.2 t80 -139.19 126.87 21.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.274 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 22.03 12.53 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.76 20.52 50.45 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.35 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 38.4 mtmt -143.15 162.02 36.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.841 0.32 . . . . 10.0 110.227 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.12 150.39 22.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.759 0.314 . . . . 10.0 110.688 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 45' ' ' PHE . 23.9 mt -102.79 145.85 29.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.488 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.39 150.77 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.627 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.46 -32.16 68.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.35 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.57 35.54 4.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.995 -0.621 . . . . 10.0 113.286 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -130.02 160.39 33.81 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.2 p -99.61 178.57 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.528 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 18' ' ' GLU . 87.7 mt -73.77 -32.38 63.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.064 0.459 . . . . 10.0 109.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -20.78 63.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.637 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -60.65 -37.07 80.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.977 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.86 15.27 25.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.932 -0.577 . . . . 10.0 110.789 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 58.62 42.28 20.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.934 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.52 127.85 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.156 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -121.55 -162.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.0 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -68.94 148.13 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.332 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 62.65 27.03 15.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.744 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.6 m -87.31 144.51 26.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.7 m -101.74 124.9 48.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.765 0.317 . . . . 10.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.79 142.67 45.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -101.44 128.19 47.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.918 0.389 . . . . 10.0 110.23 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.23 101.25 10.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.253 0.549 . . . . 10.0 110.675 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB ' ' C' ' 490' ' ' THR . 74.8 t -89.55 134.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.147 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.1 168.04 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.195 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.421 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 23.0 ttt180 . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 120.746 0.308 . . . . 10.0 110.691 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -110.44 132.96 53.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.588 0.232 . . . . 10.0 111.182 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.14 158.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -115.47 124.43 51.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.709 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 121.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -109.63 132.94 53.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 10.0 111.178 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -95.95 169.39 10.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.16 -19.17 65.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.87 0.367 . . . . 10.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 -10.45 58.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.258 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 -15.51 58.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.037 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -63.77 114.07 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 10.0 110.437 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -109.08 125.89 52.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.425 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.9 160.17 16.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.101 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -112.04 131.77 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.213 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -127.97 147.44 50.49 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.13 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -93.76 123.03 36.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.258 0.551 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.17 -179.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.552 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.4 mm-40 -146.27 164.06 26.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.81 -32.25 65.68 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.389 2.059 . . . . 10.0 113.002 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.4 10.15 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.233 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.67 149.62 26.39 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.215 -0.303 . . . . 10.0 110.239 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -100.73 145.26 28.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.82 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.04 -40.41 72.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.158 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.44 -37.36 80.69 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.24 0.543 . . . . 10.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.8 t30 -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 78.3 t -62.12 -42.21 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.716 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -64.01 -33.39 75.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.869 0.366 . . . . 10.0 110.633 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.995 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.4 mttt -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.512 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.04 -39.05 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.726 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.77 -37.2 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.18 -16.99 60.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.935 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -106.32 -52.59 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.8 -14.79 38.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.33 21.06 79.98 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.983 -0.627 . . . . 10.0 113.101 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.99 121.43 64.17 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.68 -0.306 . . . . 10.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.26 134.72 65.97 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.675 2.25 . . . . 10.0 112.236 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.63 -27.42 41.68 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.148 2.566 . . . . 10.0 113.38 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -21.36 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 10.0 111.147 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -103.52 11.1 36.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.557 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -104.9 133.2 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.484 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -139.06 104.5 5.05 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 79.2 mt -94.86 128.93 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.093 0.473 . . . . 10.0 111.692 -178.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -121.49 131.81 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.17 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.7 t80 -139.36 127.53 22.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.124 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.26 25.07 13.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.296 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.57 4.02 90.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.91 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -109.57 139.83 44.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.709 0.29 . . . . 10.0 110.298 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -81.28 127.17 32.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 21.6 mt -83.28 112.74 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.893 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 45.0 mt-10 -74.95 141.25 44.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.035 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.23 -36.49 70.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.179 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.92 24.33 9.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.731 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -121.46 161.95 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.979 0.419 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -100.58 169.58 8.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.474 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.3 mt -70.41 -32.94 70.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.931 0.396 . . . . 10.0 110.64 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.22 -28.66 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.238 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.06 -44.31 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.233 0.54 . . . . 10.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -89.18 8.77 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.203 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 63.79 30.77 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.571 0.545 . . . . 10.0 111.361 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.2 mt -78.34 107.77 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.772 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -105.14 -164.13 1.01 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.345 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 158.15 36.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 61.67 43.39 9.89 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -110.01 136.98 48.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.398 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -107.41 119.95 40.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.62 135.41 45.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.985 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 29.4 m170 -93.47 126.36 38.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -107.88 110.6 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 10.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.53 134.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.052 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 10.0 111.237 -179.384 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.832 0.349 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.37 -47.2 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.397 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.978 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 13.7 mtm -70.54 -39.76 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.441 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.62 97.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -58.86 -34.8 72.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.786 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.84 -38.69 92.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 10.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 464' ' ' ILE . . . . . 0.412 HD11 HG12 ' C' ' 486' ' ' VAL . 76.8 mt -70.91 -35.64 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -63.71 -24.49 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.641 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.01 -13.08 60.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.963 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 44.3 mtm -102.8 -42.4 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.992 0.425 . . . . 10.0 110.273 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 468' ' ' PHE . . . . . 0.616 ' O ' HG12 ' C' ' 471' ' ' VAL . 15.5 m-85 -122.16 86.48 47.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.918 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.69 -9.72 22.84 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.754 2.303 . . . . 10.0 113.15 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -87.61 -5.66 58.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 471' ' ' VAL . . . . . 0.616 HG12 ' O ' ' C' ' 468' ' ' PHE . 6.1 p -94.21 135.02 24.86 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.96 126.9 20.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.292 1.995 . . . . 10.0 112.071 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -55.28 -37.73 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.208 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -66.5 -27.59 67.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.521 0.2 . . . . 10.0 111.076 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 475' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' C' ' 475' ' ' LEU . 10.3 mt -73.75 -37.43 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 10.0 109.982 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.02 -45.82 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.603 . . . . 10.0 109.52 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -32.49 73.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.591 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.14 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.081 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 479' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' C' ' 489' ' ' THR . 23.6 t70 -69.08 -36.28 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.084 -0.246 . . . . 10.0 111.293 -179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.15 -25.89 62.01 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.851 0.357 . . . . 10.0 111.285 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.93 -5.03 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.059 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 482' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -113.72 -61.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.7 p -67.79 -46.05 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.71 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 63.82 25.87 14.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.003 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.5 t -153.48 106.01 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.764 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 486' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 8' ' ' LEU . 11.2 m -57.74 -25.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.918 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 -36.56 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.858 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.36 -30.9 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.152 0.501 . . . . 10.0 110.608 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 489' ' ' THR . . . . . 0.531 ' O ' HG13 ' C' ' 493' ' ' ILE . 58.7 m -61.34 -65.84 0.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.178 -178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 490' ' ' THR . . . . . 0.536 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.48 -35.03 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.953 -178.308 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 491' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 21.0 t70 -65.96 -51.43 58.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.5 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.14 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 493' ' ' ILE . . . . . 0.531 HG13 ' O ' ' C' ' 489' ' ' THR . 66.7 mt -67.25 -40.57 85.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.91 -35.62 59.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.544 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.923 179.515 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -102.17 139.6 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.969 0.414 . . . . 10.0 111.599 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -128.12 156.28 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.537 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -116.43 107.28 14.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.828 0.347 . . . . 10.0 110.947 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.5 t -94.24 117.44 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -100.73 141.7 33.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.0 0.429 . . . . 10.0 110.926 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -110.22 171.25 7.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.646 . . . . 10.0 110.322 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.45 -9.01 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.385 . . . . 10.0 110.86 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -10.45 44.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.11 35.01 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.87 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -92.69 139.8 30.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 10.0 110.344 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -115.57 98.34 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.3 mt -87.98 124.37 41.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.084 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.92 117.55 30.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.218 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.0 mt -119.81 149.53 41.9 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.189 0.519 . . . . 10.0 111.521 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.35 111.15 23.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.595 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.48 166.04 28.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.626 -0.261 . . . . 10.0 110.492 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -133.38 162.18 59.25 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.22 -31.76 30.23 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.832 2.354 . . . . 10.0 113.693 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -81.08 -5.07 57.21 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -70.66 154.18 42.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.032 0.444 . . . . 10.0 110.301 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -106.02 144.29 32.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.114 -0.493 . . . . 10.0 110.452 -178.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 48.8 mm -55.09 -38.22 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.235 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 10.0 110.359 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -64.19 -38.24 90.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.331 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' THR . 65.3 t -60.71 -43.25 94.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.001 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -65.22 -35.33 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.493 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.32 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.38 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.9 mttt -64.32 -40.77 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.121 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.59 -33.42 63.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.138 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 65.4 tt0 -65.52 -33.85 76.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.73 -27.62 40.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.993 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 74.9 mmtt -81.9 -56.39 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -97.95 -33.82 11.06 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.217 0.451 . . . . 10.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 96.51 38.06 4.59 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.285 -0.96 . . . . 10.0 112.103 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.19 119.56 50.61 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.0 Cg_exo -55.43 144.97 70.58 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.905 2.403 . . . . 10.0 111.955 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -54.78 -26.73 49.01 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.875 2.384 . . . . 10.0 112.868 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -29.92 70.0 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.995 0.426 . . . . 10.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -99.54 10.8 40.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.416 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -109.0 105.61 15.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.116 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -115.31 103.61 10.98 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 mt -83.06 116.63 22.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.427 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.403 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.5 mp -114.87 138.61 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.021 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -131.76 114.55 14.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.814 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.27 16.07 8.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.146 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 -1.5 34.86 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.562 -0.828 . . . . 10.0 113.527 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -122.81 150.23 43.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.098 0.449 . . . . 10.0 110.798 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -85.81 147.93 26.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.847 0.356 . . . . 10.0 111.281 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.58 131.99 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.021 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.14 140.6 39.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 4.2 m-20 -61.71 -32.36 72.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.515 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 37.12 3.03 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -138.31 161.86 35.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.772 0.32 . . . . 10.0 110.338 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p -108.49 176.26 5.18 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.83 -24.45 63.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.243 0.544 . . . . 10.0 110.337 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -73.75 -26.8 60.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.009 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.43 -25.54 67.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.018 0.437 . . . . 10.0 111.096 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -111.27 9.81 21.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.756 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 55.5 43.23 28.88 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.298 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -78.84 113.94 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.023 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 -168.45 1.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.471 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -70.03 148.71 48.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.597 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 59.84 27.46 16.78 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.1 m -76.34 140.81 41.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.888 -0.325 . . . . 10.0 110.479 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -93.56 125.79 38.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.72 131.6 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.854 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -96.03 110.7 22.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.77 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.31 105.59 17.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 10.0 110.314 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 44' ' ' ILE . 46.5 t -85.42 119.55 34.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.4 153.5 29.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.6 -0.727 . . . . 10.0 109.108 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -159.14 177.15 11.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 10.0 111.726 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD11 HG12 ' C' ' 488' ' ' ILE . 0.9 OUTLIER -165.94 158.5 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.164 -0.925 . . . . 10.0 109.321 178.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -129.79 18.21 5.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 10.0 111.063 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.62 -69.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 119.153 -0.804 . . . . 10.0 111.162 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 14.9 ptt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.116 -0.328 . . . . 10.0 110.116 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -102.82 134.0 46.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.441 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.4 pt -121.22 159.98 22.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' B' ' 66' ' ' THR . 77.1 m-85 -118.34 109.84 16.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.846 0.355 . . . . 10.0 111.251 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.0 t -97.73 119.88 46.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -103.15 129.7 50.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.274 0.559 . . . . 10.0 110.569 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.01 166.76 13.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.542 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.72 -26.83 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.4 -13.16 60.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.864 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.71 -10.4 52.82 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.11 -0.796 . . . . 10.0 111.11 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' CD ' ' B' ' 34' ' ' GLU . 38.4 tttp -63.84 140.59 58.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.292 -0.454 . . . . 10.0 110.092 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -122.33 126.85 48.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 10.0 110.793 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.6 131.35 66.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.649 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.76 125.38 40.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -120.2 145.7 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.25 0.548 . . . . 10.0 111.88 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.13 107.35 19.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.058 -0.973 . . . . 10.0 109.425 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.2 m -135.37 178.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.86 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HD12 ' B' ' 56' ' ' LEU . 8.8 mm-40 -145.68 158.55 49.66 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.25 -27.7 48.84 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.537 2.158 . . . . 10.0 113.305 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -3.72 53.98 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -84.08 152.8 24.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.612 0.244 . . . . 10.0 110.569 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 42.0 p -97.3 156.36 16.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.942 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.69 -36.7 76.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.958 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.0 -41.71 97.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.514 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -64.4 -33.25 75.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.064 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 58.8 t -63.22 -41.0 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.83 -40.27 96.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.004 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -33.39 75.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.523 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.31 -39.48 74.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.036 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 76.3 mt -71.76 -37.37 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.75 -34.94 79.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.28 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -69.72 -28.75 66.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.128 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -92.68 -64.81 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' CD ' ' HE2' ' B' ' 11' ' ' LYS . 72.7 mm-40 -81.73 -25.66 35.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 36.29 22.45 Favored Glycine 0 C--N 1.321 -0.304 0 C-N-CA 120.381 -0.914 . . . . 10.0 112.694 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -102.42 126.15 34.02 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.52 136.81 64.94 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.516 2.144 . . . . 10.0 112.001 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.45 -23.27 74.92 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.965 2.443 . . . . 10.0 112.454 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.82 66.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.406 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -92.98 -0.11 57.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -92.46 99.28 12.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.328 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -104.58 97.79 7.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -88.02 128.31 35.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.042 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -127.74 129.79 70.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.785 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -113.83 99.24 7.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.726 0.298 . . . . 10.0 110.975 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.49 25.64 14.46 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.495 -0.775 . . . . 10.0 112.329 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.27 -14.19 30.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.668 -0.777 . . . . 10.0 112.588 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -89.95 120.21 30.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.609 -0.348 . . . . 10.0 110.522 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -78.78 119.08 21.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -79.55 123.71 27.84 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.478 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.9 144.93 28.06 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.96 -48.67 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.797 0.332 . . . . 10.0 111.686 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.17 54.92 4.93 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.516 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.467 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.9 mmt180 -139.16 151.5 46.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.449 -0.204 . . . . 10.0 110.449 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.97 150.25 20.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.973 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.9 mt -61.09 -28.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 10.0 111.655 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.3 p -70.23 -21.05 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.103 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.26 -18.31 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.692 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.96 -0.45 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.674 0.273 . . . . 10.0 110.553 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t30 55.32 49.55 16.81 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.436 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.2 mt -85.63 130.19 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 -166.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.381 0.61 . . . . 10.0 111.497 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -83.03 147.45 28.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 64.9 18.23 11.39 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.985 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 m -80.72 138.91 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.095 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -93.72 130.22 39.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.898 0.38 . . . . 10.0 111.426 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -114.8 148.85 37.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.527 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -100.78 129.26 46.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.742 0.306 . . . . 10.0 110.662 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.8 tp -112.52 107.38 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.372 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 t -100.48 135.29 37.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.074 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.45 135.3 37.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -108.19 129.43 55.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.258 -0.428 . . . . 10.0 109.969 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.41 146.73 52.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 61.3 80.27 0.22 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.783 0.677 . . . . 10.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.6 158.8 20.88 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.747 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.691 -1.061 . . . . 10.0 112.112 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.579 0.228 . . . . 10.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 69.02 19.19 8.21 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.274 0.63 . . . . 10.0 111.055 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -33.7 20.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.017 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -92.23 -38.05 12.33 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.975 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.8 -47.13 86.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.248 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.326 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.77 99.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.351 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 63.8 mtm -64.96 -42.32 94.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.488 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.38 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.802 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -58.62 -38.43 78.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.652 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.2 tp60 -70.58 -42.68 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.264 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.61 -35.47 67.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -62.14 -25.05 67.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.851 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -24.21 31.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 10.0 110.343 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 52.4 mmm -81.73 -34.84 30.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.97 -0.559 . . . . 10.0 109.838 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.429 ' O ' HG12 ' C' ' 471' ' ' VAL . 7.5 m-85 -123.9 86.78 53.34 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.607 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -77.63 41.06 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.684 2.256 . . . . 10.0 112.369 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -150.04 6.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.255 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.429 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.2 p -107.86 138.85 20.17 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 121.33 -0.148 . . . . 10.0 110.662 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.405 ' O ' HG23 ' C' ' 476' ' ' VAL . 26.4 Cg_exo -65.02 124.98 13.84 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.168 1.912 . . . . 10.0 111.552 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -58.71 -37.35 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.093 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -64.43 -24.16 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 10.0 111.336 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 475' ' ' LEU . 32.9 mt -84.16 -36.37 22.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.826 0.346 . . . . 10.0 110.235 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.405 HG23 ' O ' ' C' ' 472' ' ' PRO . 15.6 t -63.78 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.331 0.586 . . . . 10.0 109.548 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.66 -24.97 67.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.409 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -47.89 21.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.681 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.26 -34.23 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.163 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -23.32 48.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.608 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.61 -11.05 43.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.871 0.367 . . . . 10.0 110.911 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 -35.16 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.246 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.5 p -98.84 -45.85 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.62 -0.264 . . . . 10.0 110.98 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.64 30.45 8.28 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.653 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.2 t -160.75 127.06 4.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.567 0.222 . . . . 10.0 110.654 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.88 -26.02 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.929 0.395 . . . . 10.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 39.1 mp0 -68.19 -24.0 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.931 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.409 HG12 HD11 ' A' ' 73' ' ' LEU . 27.7 mt -99.28 -47.88 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.829 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.542 ' O ' HG13 ' C' ' 493' ' ' ILE . 25.9 m -52.78 -64.43 0.82 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -41.63 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 10.0 112.117 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 23.0 t70 -66.51 -48.18 70.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.077 0.465 . . . . 10.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -21.82 66.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.924 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.542 HG13 ' O ' ' C' ' 489' ' ' THR . 51.5 mt -63.3 -39.59 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -31.02 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.571 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 8.0 mm-40 -70.44 -37.63 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.77 30.29 1.16 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.425 -0.893 . . . . 10.0 113.136 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -77.04 -49.76 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 10.0 109.951 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.435 HD12 HG12 ' C' ' 493' ' ' ILE . 44.0 mt -91.35 135.92 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.037 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -70.63 116.94 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.49 154.59 94.2 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.546 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -67.29 96.8 0.41 Allowed 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.315 2.01 . . . . 10.0 112.296 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -104.66 135.56 19.3 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.89 102.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.642 2.228 . . . . 10.0 112.482 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.252 1.216 0 CA-C-O 117.878 -1.058 . . . . 10.0 109.156 179.817 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.926 -0.398 . . . . 10.0 109.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -88.98 135.62 33.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.049 0.452 . . . . 10.0 111.863 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -123.03 161.83 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.255 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -117.71 104.07 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 10.0 111.586 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 t -92.16 123.49 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -107.74 132.18 53.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.027 0.441 . . . . 10.0 110.979 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.496 HG22 HD23 ' A' ' 69' ' ' LEU . 71.3 p -99.29 165.9 11.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.508 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.72 -12.88 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.117 0.484 . . . . 10.0 110.762 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.95 -3.01 57.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.89 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.91 35.71 20.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 10.0 112.154 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.3 144.67 44.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.141 -0.318 . . . . 10.0 110.141 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -115.79 120.78 40.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.122 0.486 . . . . 10.0 110.414 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.45 118.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.194 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.69 114.17 24.05 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.8 mt -116.08 144.33 44.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.003 0.43 . . . . 10.0 111.815 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -95.87 100.81 12.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.465 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 1' ' ' MET . 20.5 m -125.53 174.5 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.54 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 54.6 mm-40 -129.05 157.92 74.39 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.546 -0.539 . . . . 10.0 109.546 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.31 -26.74 53.91 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.658 2.239 . . . . 10.0 112.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 9.46 28.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.79 141.52 31.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.078 0.466 . . . . 10.0 110.477 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.68 144.32 27.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.305 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 54' ' ' ARG . 50.0 mm -56.31 -40.36 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.057 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -57.95 -42.3 84.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.52 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -66.01 -39.16 90.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.241 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 61.0 t -60.78 -43.11 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.692 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -65.4 -35.43 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.436 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.36 86.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 10.0 109.801 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -64.71 -37.87 89.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.995 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.58 -38.12 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 CA-C-O 121.356 0.598 . . . . 10.0 109.65 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.34 -36.08 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.69 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.89 -30.93 68.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.005 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -96.46 -44.59 7.12 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -89.64 -34.65 16.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.08 11.95 53.38 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.45 -0.881 . . . . 10.0 112.594 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.4 mt -92.91 119.86 67.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -53.95 137.83 69.2 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.788 2.325 . . . . 10.0 112.315 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.15 -18.98 67.65 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.905 2.403 . . . . 10.0 111.961 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.02 -25.47 62.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.087 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -102.75 8.01 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.18 116.88 33.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.403 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -118.09 99.15 6.69 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.147 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.11 140.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 10.0 109.868 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -132.67 112.33 11.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.782 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.22 10.99 7.58 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.966 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.35 -15.32 17.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.391 -0.909 . . . . 10.0 113.035 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -103.39 149.15 25.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.959 0.379 . . . . 10.0 110.315 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.45 144.96 27.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.014 0.435 . . . . 10.0 110.766 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.82 137.19 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -82.31 145.51 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.103 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.8 -38.48 91.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 10.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.25 41.85 3.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.092 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' HG12 ' A' ' 23' ' ' ILE . 86.7 mmt-85 -136.71 165.44 25.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -109.77 169.0 8.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.677 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 45.1 mt -64.24 -34.59 78.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.633 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.7 m -67.9 -19.07 64.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.278 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.88 -24.86 61.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.851 0.358 . . . . 10.0 111.131 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -114.3 12.95 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.81 32.79 22.56 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.404 -0.816 . . . . 10.0 111.34 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.1 mt -79.11 109.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -99.24 -166.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.017 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -70.98 151.77 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.938 0.399 . . . . 10.0 111.854 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 64.13 11.17 6.02 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.136 -0.938 . . . . 10.0 113.086 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -74.45 145.97 43.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 10.0 110.565 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -92.68 125.42 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.62 128.02 54.47 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.662 -0.495 . . . . 10.0 109.662 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.48 118.26 29.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.679 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 7' ' ' THR . 44.2 tp -99.66 107.92 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.019 0.438 . . . . 10.0 111.052 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 t -91.94 136.43 24.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.2 mt -97.43 162.82 13.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.378 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -152.67 136.47 16.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.736 0.303 . . . . 10.0 110.504 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.3 102.0 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.183 0.516 . . . . 10.0 110.446 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' C' ' 491' ' ' ASP . 18.6 mmt180 -115.58 106.54 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.82 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.18 41.34 1.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.972 -0.633 . . . . 10.0 111.925 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 CA-C-O 118.199 -1.334 . . . . 10.0 111.648 -179.793 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 110.194 -0.298 . . . . 10.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -115.45 132.92 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.506 -0.315 . . . . 10.0 110.384 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -121.46 151.57 24.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.022 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' B' ' 66' ' ' THR . 47.9 m-85 -108.57 116.66 32.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.706 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.8 t -105.93 119.46 55.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -106.09 124.88 50.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.918 0.389 . . . . 10.0 110.978 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.448 HG22 HD23 ' B' ' 69' ' ' LEU . 64.7 p -82.89 169.59 15.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.606 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.46 -27.49 69.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 10.0 109.81 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -20.55 61.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.073 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.64 18.6 20.35 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.877 -0.678 . . . . 10.0 112.5 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -88.25 122.19 31.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.709 0.29 . . . . 10.0 110.453 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.6 m -93.63 105.19 17.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.06 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.19 125.95 60.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.049 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -90.5 137.6 32.22 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.501 HD11 HG12 ' B' ' 30' ' ' ILE . 42.4 mt -130.69 134.2 46.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.807 0.337 . . . . 10.0 111.412 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -87.92 108.95 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.971 -0.752 . . . . 10.0 108.971 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.73 163.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.129 0.49 . . . . 10.0 111.407 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.51 ' O ' HD12 ' B' ' 56' ' ' LEU . 72.3 mm-40 -120.39 158.46 51.06 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.09 -34.56 78.56 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.242 1.961 . . . . 10.0 112.598 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.31 1.79 20.64 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -77.19 146.32 37.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.9 p -94.19 150.57 20.19 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.763 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.509 HD12 HD13 ' B' ' 50' ' ' LEU . 45.2 mm -56.75 -37.2 52.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.151 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.75 -42.01 98.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.598 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.58 -35.65 77.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.417 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.463 ' O ' HG13 ' B' ' 30' ' ' ILE . 99.5 t -60.53 -45.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -65.62 -32.42 73.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.483 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.49 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.25 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.0 -35.85 79.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.153 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.501 HG12 HD11 ' B' ' 15' ' ' LEU . 19.7 mt -73.35 -32.52 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.063 -0.717 . . . . 10.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 31.1 tt0 -63.64 -28.92 70.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.252 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -80.01 -30.78 39.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.174 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -87.02 -50.09 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.414 . . . . 10.0 111.96 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -92.09 -25.92 18.54 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 82.87 26.71 44.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.328 -0.939 . . . . 10.0 112.591 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.43 124.65 37.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.566 0.183 . . . . 10.0 110.794 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.4 Cg_exo -54.46 137.74 72.91 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.794 2.33 . . . . 10.0 112.411 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.7 Cg_exo -57.02 -21.98 44.62 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.038 2.492 . . . . 10.0 113.396 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.1 -27.51 61.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.401 0.619 . . . . 10.0 110.57 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -98.96 13.04 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.885 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -112.96 124.31 52.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.736 0.303 . . . . 10.0 111.732 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -122.71 110.94 16.12 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.891 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -98.59 132.96 43.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.097 0.475 . . . . 10.0 111.259 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 mt -126.97 131.65 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.006 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -115.92 106.53 13.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 10.0 111.041 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 24.66 12.27 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.588 -0.733 . . . . 10.0 112.383 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.98 -15.83 43.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.115 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -93.85 114.33 26.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.25 135.37 50.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD13 HD12 ' B' ' 23' ' ' ILE . 24.6 mt -85.73 131.55 34.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.864 0.364 . . . . 10.0 111.227 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -88.57 141.08 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.856 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.43 -48.33 68.85 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.424 0.453 . . . . 10.0 111.82 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.6 51.84 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.978 -0.63 . . . . 10.0 113.072 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 54' ' ' ARG . 39.1 mmt-85 -143.53 166.02 25.97 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 59.4 p -106.58 177.7 4.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.614 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.51 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.6 mt -76.14 -36.09 58.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.673 0.273 . . . . 10.0 110.621 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -21.7 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.015 0.436 . . . . 10.0 110.332 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -57.79 -31.87 66.98 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.201 179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -111.11 11.72 21.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.809 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 58.2 47.34 14.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.164 -0.925 . . . . 10.0 111.899 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -84.99 130.46 36.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -120.06 -167.62 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.847 0.356 . . . . 10.0 111.362 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -75.75 154.37 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.301 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.85 21.63 11.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.42 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 m -90.17 157.16 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.872 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.0 m -124.28 139.64 53.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.432 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -126.69 156.98 40.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.336 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -102.87 133.15 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.063 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.448 HD23 HG22 ' B' ' 7' ' ' THR . 54.0 tp -114.09 113.0 24.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.905 0.383 . . . . 10.0 110.701 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.7 t -95.18 128.17 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.133 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.01 109.96 19.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.357 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -89.7 89.75 7.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.12 0.486 . . . . 10.0 110.468 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 31.3 mt -81.33 150.85 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.959 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.62 -47.72 3.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.778 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.36 88.26 0.46 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.828 -0.701 . . . . 10.0 111.852 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.14 0 CA-C-O 118.291 -1.283 . . . . 10.0 111.611 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . 0.432 ' HB2' ' OG ' ' C' ' 455' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.353 0.131 . . . . 10.0 111.353 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' C' ' 453' ' ' SER . 19.9 m-20 71.27 7.34 6.08 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.888 0.475 . . . . 10.0 111.622 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . 0.432 ' OG ' ' HB2' ' C' ' 453' ' ' SER . 1.1 m -70.14 -33.36 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 10.0 111.184 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -101.3 -33.9 9.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.271 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 99.0 mt -59.42 -43.56 93.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.774 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.99 -39.3 87.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 10.0 110.561 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.69 95.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.567 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 71.3 mtm -65.28 -35.53 81.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.394 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.81 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 10.0 109.957 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.07 -38.99 84.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.066 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' C' ' 467' ' ' MET . 27.3 tp60 -64.64 -45.03 88.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.107 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 89.7 mt -66.09 -35.66 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.288 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.47 -26.22 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -79.97 -27.49 39.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.228 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 28.4 mmm -84.89 -32.26 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.366 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.412 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.4 m-85 -119.93 79.38 24.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.656 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.97 44.31 1.66 Allowed 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.5 2.133 . . . . 10.0 112.26 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -154.0 21.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.512 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.412 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.2 p -131.25 137.9 31.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.351 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 37.8 Cg_exo -61.81 128.8 25.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.504 2.136 . . . . 10.0 112.086 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -53.6 -44.91 69.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.433 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -63.49 -25.77 68.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 475' ' ' LEU . 15.7 mt -77.82 -32.74 52.45 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.844 -0.343 . . . . 10.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.5 t -67.53 -40.6 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.181 0.515 . . . . 10.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.39 -30.75 70.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.69 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.0 -48.8 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.53 -39.95 94.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.358 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -58.67 -35.01 71.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.009 0.433 . . . . 10.0 111.073 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -85.25 4.61 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.94 -51.11 2.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.021 0.438 . . . . 10.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 66.9 p -89.34 -41.43 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.534 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? 68.11 27.97 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.471 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.7 t -149.07 121.63 8.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.14 -26.67 41.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.137 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.76 -29.93 67.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.784 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 23.1 mt -88.17 -39.83 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 110.247 -0.279 . . . . 10.0 110.247 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.432 ' O ' HG13 ' C' ' 493' ' ' ILE . 39.5 m -54.7 -51.71 64.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 10.0 111.729 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 4.6 p -63.85 -39.45 94.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.12 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 74' ' ' ARG . 27.5 t0 -62.91 -48.64 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.732 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -55.19 -47.91 74.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.432 HG13 ' O ' ' C' ' 489' ' ' THR . 74.6 mt -61.83 -43.76 97.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.866 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -37.46 85.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.587 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 32.0 mm-40 -73.64 -30.16 62.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.453 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 113.3 18.3 7.24 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -69.09 -39.76 78.81 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.554 -0.535 . . . . 10.0 109.554 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.32 127.6 49.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.596 -0.89 . . . . 10.0 108.596 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -71.76 128.47 35.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.104 0.478 . . . . 10.0 111.178 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.5 m -79.13 161.99 66.0 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.355 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -64.8 98.49 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.518 2.145 . . . . 10.0 112.234 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -100.9 130.01 26.11 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.872 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.91 118.9 5.66 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.208 2.605 . . . . 10.0 112.68 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.15 -0.929 . . . . 10.0 109.684 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.604 0.24 . . . . 10.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -99.92 144.59 28.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.916 0.389 . . . . 10.0 111.319 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.1 pt -131.03 167.98 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.04 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' THR . 66.0 m-85 -125.11 121.89 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.701 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.84 116.79 53.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.743 0.306 . . . . 10.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -87.58 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.875 0.369 . . . . 10.0 110.438 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.487 HG23 HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -106.76 160.26 15.61 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.565 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.4 -16.6 48.13 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.247 -0.433 . . . . 10.0 112.103 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 p -78.35 -7.19 56.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.813 0.34 . . . . 10.0 111.451 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 20.64 54.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.643 -0.789 . . . . 10.0 111.865 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -114.94 147.53 39.89 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -109.28 114.77 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.091 0.472 . . . . 10.0 110.321 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.9 mt -90.43 117.5 33.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.626 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 127.73 35.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.855 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.41 155.13 50.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 10.0 111.214 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -104.06 120.23 40.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.22 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 m -135.5 167.32 25.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.828 0.347 . . . . 10.0 111.087 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 50.2 mm-40 -120.09 158.68 49.8 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.533 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -36.83 97.57 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 122.251 1.968 . . . . 10.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -86.31 5.58 33.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.793 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 4.6 t0 -68.16 149.62 49.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.923 0.392 . . . . 10.0 110.54 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.6 m -100.14 142.31 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.591 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -52.05 -44.54 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 123.293 0.371 . . . . 10.0 111.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.44 -44.48 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 10.0 110.557 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.35 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.074 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 94.1 t -62.24 -42.58 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.893 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HE2' ' OD2' ' A' ' 52' ' ' ASP . 28.2 mtmt -66.07 -34.05 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.273 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.81 -34.71 78.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.945 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -66.37 -33.42 75.68 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.835 -0.62 . . . . 10.0 109.838 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -74.12 -30.11 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 37.5 tt0 -70.18 -32.34 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.239 -0.892 . . . . 10.0 110.095 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -76.37 -32.78 58.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -87.83 -55.69 3.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -87.19 -41.6 13.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.664 0.268 . . . . 10.0 111.657 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 102.57 1.12 49.94 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.737 -0.744 . . . . 10.0 112.059 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.3 mt -68.11 126.72 92.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.16 134.88 55.05 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.411 2.074 . . . . 10.0 111.946 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.85 -18.29 26.92 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.739 2.293 . . . . 10.0 112.763 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -28.09 63.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.109 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -107.88 15.39 24.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.629 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -101.78 111.82 24.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.412 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -111.43 109.88 20.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 mt -93.96 114.55 26.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.005 0.431 . . . . 10.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.48 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.34 135.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.994 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 43.1 t80 -129.41 114.78 16.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.26 30.97 17.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.571 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.44 26.57 35.56 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.714 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 34.4 mtmt -138.99 136.77 35.71 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.552 -0.381 . . . . 10.0 110.659 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.24 125.1 29.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.9 mt -84.69 147.02 27.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -89.86 145.84 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.815 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -60.87 -44.64 96.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.899 -178.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.38 53.22 4.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.978 -0.629 . . . . 10.0 113.434 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -141.98 160.95 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 62.2 p -104.28 172.35 6.85 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.345 -0.613 . . . . 10.0 109.345 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 18' ' ' GLU . 80.2 mt -66.78 -29.16 69.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.329 0.585 . . . . 10.0 110.049 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -15.96 62.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.334 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -71.99 -26.14 62.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.937 0.399 . . . . 10.0 110.765 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -118.62 16.69 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.423 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 58.81 34.98 24.06 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.597 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.55 120.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.957 0.408 . . . . 10.0 110.193 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -108.61 -162.86 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -76.6 152.01 36.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.55 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 64.28 18.99 11.61 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.113 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 m -77.58 136.14 38.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.586 0.232 . . . . 10.0 110.513 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.5 m -93.38 113.1 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.976 0.417 . . . . 10.0 111.234 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 146.28 26.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.107 -0.701 . . . . 10.0 109.107 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' C' ' 467' ' ' MET . 16.3 m80 -104.01 123.93 48.1 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.681 0.277 . . . . 10.0 110.481 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 HG23 ' A' ' 7' ' ' THR . 39.7 tp -98.35 104.39 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.14 0.495 . . . . 10.0 110.403 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.48 131.72 36.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.87 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.68 157.33 18.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.426 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.86 156.47 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.25 177.48 7.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.68 100.78 2.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 10.0 110.759 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.08 -133.84 3.05 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.867 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.7 -1.056 . . . . 10.0 112.32 -179.777 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.492 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.1 ptt? . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.801 0.334 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -98.1 136.59 38.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.31 0.485 . . . . 10.0 112.31 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -125.08 162.22 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.9 m-85 -119.16 113.35 20.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.002 0.43 . . . . 10.0 111.437 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.26 119.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -103.02 129.28 49.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.126 0.489 . . . . 10.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -91.18 170.86 9.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.665 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.53 -19.22 65.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.323 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.31 -8.21 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.888 0.375 . . . . 10.0 110.853 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.36 -7.39 63.93 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.021 -0.609 . . . . 10.0 112.686 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -72.95 119.95 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 10.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.31 111.43 23.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.119 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.59 143.47 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.045 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -100.0 137.96 37.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.966 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 mt -132.78 148.6 52.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.005 0.431 . . . . 10.0 111.298 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -93.84 112.79 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.402 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' B' ' 1' ' ' MET . 23.2 m -138.52 179.75 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.925 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -139.63 158.46 68.12 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -55.84 -28.66 68.72 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.103 1.869 . . . . 10.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 9.51 28.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.777 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -79.2 157.13 27.91 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.847 0.356 . . . . 10.0 110.24 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.34 146.24 27.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.498 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.4 -41.22 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 10.0 110.401 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.91 -42.24 89.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.81 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.14 -35.87 81.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.0 -40.21 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 3.2 mmmm -60.93 -40.67 94.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.992 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.88 76.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.661 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.37 -37.77 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.327 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.18 -35.44 63.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.588 0.708 . . . . 10.0 109.306 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 32.7 tt0 -70.26 -21.69 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.044 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.32 -39.61 17.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.906 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -77.49 -60.12 2.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.489 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.93 -51.71 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.88 0.372 . . . . 10.0 111.179 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 115.54 -4.82 21.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.745 -0.741 . . . . 10.0 112.162 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.45 127.16 86.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.511 -0.181 . . . . 10.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.89 133.92 61.15 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.319 2.013 . . . . 10.0 111.804 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.49 -23.35 74.97 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.599 2.2 . . . . 10.0 111.643 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 -25.75 67.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.215 -0.902 . . . . 10.0 111.066 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -111.13 12.69 21.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.797 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.45 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 65.5 mt-30 -96.83 106.36 18.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.115 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -110.79 99.47 8.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -87.63 125.52 34.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.103 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -122.25 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.666 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 72.9 t80 -123.1 115.42 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.291 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.77 20.02 10.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.701 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.55 -10.92 56.44 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -97.26 130.4 44.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.604 0.24 . . . . 10.0 110.62 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -76.83 137.22 39.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.1 mt -93.59 122.84 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.886 0.374 . . . . 10.0 111.569 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.708 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.84 -37.19 65.86 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.069 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.04 35.14 2.76 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.281 -0.485 . . . . 10.0 112.892 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -135.35 163.38 30.15 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -104.99 168.69 8.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.541 HD12 ' O ' ' B' ' 18' ' ' GLU . 81.9 mt -66.2 -30.72 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.531 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -73.23 -21.55 60.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.19 -34.62 78.04 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 10.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.09 9.55 32.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.119 -0.492 . . . . 10.0 111.075 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 62.79 40.0 10.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.502 0.501 . . . . 10.0 111.037 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.3 mt -85.36 102.81 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.793 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.502 ' HB2' ' NH2' ' C' ' 484' ' ' ARG . 73.1 mt-30 -93.02 176.33 6.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 8.7 pttt -71.05 164.16 26.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 67.35 2.49 2.88 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.302 0.641 . . . . 10.0 112.139 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.0 m -84.47 148.9 26.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.3 m -99.36 133.42 43.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.422 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.34 143.04 45.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.747 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.15 131.45 45.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.773 0.321 . . . . 10.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.16 106.3 16.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.274 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.13 132.77 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.497 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.3 mt -100.61 118.68 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.239 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 72' ' ' ARG . 18.5 ttt180 -114.96 117.46 30.7 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 10.0 110.664 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.53 -174.43 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.728 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -131.78 32.71 4.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 10.0 110.485 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.51 116.47 4.86 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.321 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.194 -1.337 . . . . 10.0 111.506 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.851 0.358 . . . . 10.0 110.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 62.5 21.03 12.35 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.441 -0.8 . . . . 10.0 111.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -45.8 91.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.796 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -64.69 -38.29 90.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.482 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.42 -41.62 93.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.88 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.94 -39.67 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.232 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.26 96.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.483 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.7 mtm -66.35 -40.38 89.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.46 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.52 -26.07 68.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.533 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -77.74 -40.99 39.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.03 -34.05 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.275 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -62.6 -25.61 68.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.669 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -75.64 -27.96 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 10.0 110.246 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.489 ' HA ' ' CG ' ' A' ' 68' ' ' HIS . 45.0 mtm -82.1 -48.83 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.267 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 16.5 m-85 -115.48 91.63 29.76 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.715 0.293 . . . . 10.0 110.683 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.61 40.18 0.92 Allowed 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.792 2.328 . . . . 10.0 113.196 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.36 14.41 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.789 0.328 . . . . 10.0 111.465 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 9.1 p -116.85 130.89 24.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 120.994 -0.283 . . . . 10.0 110.814 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 129.41 34.69 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.671 2.247 . . . . 10.0 111.909 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.48 -42.96 79.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.215 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -62.71 -26.76 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.595 0.22 . . . . 10.0 111.595 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' C' ' 475' ' ' LEU . 16.6 mt -76.16 -39.14 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 10.0 110.005 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.43 -45.8 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.919 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 7.5 mt -63.78 -27.49 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.893 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -68.33 -51.88 39.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.103 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.11 -33.97 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.718 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.49 -30.19 64.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.363 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 45.6 mt-30 -83.34 -12.06 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.019 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.87 -48.76 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.739 -0.209 . . . . 10.0 111.498 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 16.5 p -83.56 -36.01 24.32 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.502 ' NH2' ' HB2' ' B' ' 62' ' ' GLN . 5.1 mpt_? 62.94 27.79 16.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.104 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -161.12 124.39 3.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.689 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 16.5 m -62.56 -28.98 45.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.746 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.28 -30.23 71.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.635 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 9.7 mt -92.73 -40.07 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.894 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 37.9 m -53.54 -56.02 20.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.026 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -31.65 72.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.442 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -67.27 -40.44 86.19 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -58.43 -43.57 88.77 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.228 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 64.1 mt -67.88 -46.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.432 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -30.76 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.691 -0.231 . . . . 10.0 111.462 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.3 -50.84 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 10.0 110.479 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.83 38.94 0.28 Allowed Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.62 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -96.94 -26.67 14.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.771 0.32 . . . . 10.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.84 132.46 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.183 -0.462 . . . . 10.0 109.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -66.98 120.73 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.5 m -72.75 156.44 89.96 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.374 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.65 92.71 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.67 2.247 . . . . 10.0 112.117 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -97.99 127.42 37.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.978 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.12 97.44 0.58 Allowed 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.655 2.237 . . . . 10.0 112.371 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.013 -0.994 . . . . 10.0 109.526 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.4 ptt? . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -105.0 133.49 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.448 . . . . 10.0 111.554 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.67 158.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.705 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -120.57 130.65 54.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.773 0.32 . . . . 10.0 110.773 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.41 133.48 59.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -104.79 140.52 37.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 HG22 HD23 ' A' ' 69' ' ' LEU . 21.8 p -114.19 161.7 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.086 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -72.09 -4.47 29.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.392 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 -0.38 39.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.953 0.406 . . . . 10.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.07 43.52 16.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.401 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -128.47 123.54 33.89 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.157 -0.312 . . . . 10.0 110.157 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -87.09 128.85 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.521 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.0 mt -113.84 127.27 71.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.256 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -96.39 127.72 42.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.935 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.94 140.14 50.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.1 0.476 . . . . 10.0 111.624 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -102.8 107.49 18.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.004 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 1' ' ' MET . 26.6 m -139.08 168.07 19.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.61 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -113.24 156.13 43.49 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 109.716 -0.476 . . . . 10.0 109.716 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.95 -26.02 56.28 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.816 2.344 . . . . 10.0 113.139 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 13.76 12.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.908 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -86.68 149.23 25.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -86.23 144.88 27.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.674 -179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 HG23 HD12 ' A' ' 43' ' ' LEU . 46.8 mm -55.85 -43.89 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.203 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -34.27 77.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 10.0 110.681 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -70.88 -22.6 62.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.095 0.474 . . . . 10.0 110.466 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' THR . 94.0 t -77.03 -42.09 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -65.23 -31.86 73.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.059 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.71 82.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.666 . . . . 10.0 110.084 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -68.45 -34.38 75.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.051 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 64.7 mt -70.68 -34.76 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.119 -0.697 . . . . 10.0 109.119 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.87 -36.09 82.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.964 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.42 -34.49 74.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -85.87 -50.92 6.74 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -93.29 -25.48 17.74 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.2 22.63 51.34 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.312 -0.946 . . . . 10.0 112.233 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -98.7 127.83 34.46 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.325 -0.25 . . . . 10.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.52 128.1 27.08 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.521 2.147 . . . . 10.0 112.153 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.97 -18.88 29.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.298 2.665 . . . . 10.0 112.814 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -34.42 78.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.524 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.38 15.66 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.879 0.371 . . . . 10.0 110.801 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -104.64 121.94 44.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.044 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -116.51 131.11 57.04 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD12 HG23 ' A' ' 23' ' ' ILE . 22.0 mt -106.66 116.11 31.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.147 0.499 . . . . 10.0 110.318 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.69 133.96 55.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.706 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -125.76 109.46 12.59 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.728 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.16 24.69 14.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.428 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.75 -7.27 60.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.819 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -100.02 131.29 46.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.735 -0.274 . . . . 10.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 130.46 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.64 144.32 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.744 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.7 mt-10 -87.75 143.9 26.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -63.75 -36.0 82.44 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 31.57 4.12 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.824 -0.703 . . . . 10.0 113.658 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 28.8 mmt180 -123.83 166.79 15.02 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.95 0.375 . . . . 10.0 110.218 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 24.1 p -107.27 172.53 6.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.783 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.32 -31.31 71.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.171 0.51 . . . . 10.0 110.127 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -21.09 65.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.166 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-20 -63.45 -37.18 86.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.047 0.451 . . . . 10.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -111.08 13.96 21.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.558 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.55 39.54 24.71 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.624 -0.717 . . . . 10.0 111.834 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.3 mt -81.96 112.05 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -103.83 -166.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -71.61 161.33 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.385 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 64.02 15.9 9.55 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.792 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -89.79 147.33 23.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.84 0.352 . . . . 10.0 110.775 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -107.54 126.9 53.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.814 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.63 141.62 38.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -99.17 117.13 32.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.639 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD23 HG22 ' A' ' 7' ' ' THR . 41.6 tp -94.05 100.81 12.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 10.0 110.192 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -94.47 132.66 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.17 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.9 mt -101.56 147.73 26.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.849 0.357 . . . . 10.0 110.365 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.31 141.27 51.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD12 ' CG1' ' C' ' 488' ' ' ILE . 6.5 mt -87.11 148.12 25.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.288 0.566 . . . . 10.0 112.076 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -126.17 52.46 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.172 -0.922 . . . . 10.0 108.957 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.17 -99.2 2.54 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.933 -0.867 . . . . 10.0 110.933 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.854 0 CA-C-O 118.507 -1.163 . . . . 10.0 113.017 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.777 -0.453 . . . . 10.0 109.777 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -111.47 136.09 51.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.791 0.329 . . . . 10.0 111.298 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.17 165.45 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.593 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 66' ' ' THR . 55.2 m-85 -124.15 119.67 30.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.713 0.292 . . . . 10.0 110.955 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -103.27 121.36 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -106.2 125.91 51.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.994 0.426 . . . . 10.0 110.947 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 59.4 p -80.87 168.6 18.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.061 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.01 -20.49 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 10.0 110.815 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -19.56 43.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.329 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.29 8.56 30.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.494 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -80.39 122.59 27.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.396 -0.224 . . . . 10.0 110.396 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -99.06 114.99 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 10.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -105.12 128.52 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.788 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 m -93.77 123.51 37.15 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.7 mt -125.62 151.4 46.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 10.0 111.625 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.4 114.64 28.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.347 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -144.93 146.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.194 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -100.47 156.63 35.0 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -53.38 -29.32 47.7 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 122.697 2.265 . . . . 10.0 113.219 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -85.84 9.11 17.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.891 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -86.86 134.06 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.855 0.36 . . . . 10.0 110.357 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.28 148.43 32.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.403 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -56.52 -38.14 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.01 -41.32 78.27 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.799 0.333 . . . . 10.0 110.652 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.23 -36.71 82.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.06 0.457 . . . . 10.0 110.141 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.4 t -64.31 -40.26 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 10.0 109.786 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -40.48 92.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.102 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.73 89.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.6 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.42 -39.07 93.5 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.329 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 26' ' ' VAL . 74.3 mt -70.96 -40.49 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.167 0.508 . . . . 10.0 110.015 178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.73 -38.91 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.156 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -0.81 16.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.02 -0.536 . . . . 10.0 112.01 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -123.28 -49.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.956 -0.298 . . . . 10.0 111.766 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.57 -10.65 45.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.2 74.35 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.107 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 123.94 37.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.335 -0.246 . . . . 10.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 35.1 Cg_exo -57.98 138.75 87.57 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.472 2.114 . . . . 10.0 111.838 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.5 Cg_exo -57.81 -21.24 47.52 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.087 2.525 . . . . 10.0 112.903 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.66 -27.43 68.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.497 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.89 17.25 20.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.918 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -99.75 91.49 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.138 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 71.3 mtt180 -92.26 93.02 8.44 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.899 -0.408 . . . . 10.0 109.899 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.2 mt -85.23 114.72 22.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.492 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -120.58 129.18 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.317 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.439 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.8 t80 -120.82 116.76 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.346 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.25 24.54 13.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.729 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.81 70.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.727 -0.749 . . . . 10.0 112.844 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.458 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 47.2 mtmt -97.73 118.73 34.92 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -70.26 125.11 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.686 -0.487 . . . . 10.0 109.686 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.5 mt -86.21 120.25 27.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.269 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.88 148.99 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.04 -40.94 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.293 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.17 44.24 3.32 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.017 -0.611 . . . . 10.0 112.808 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.403 ' O ' HG12 ' B' ' 23' ' ' ILE . 17.9 mmt180 -142.06 153.88 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.0 p -101.55 -179.25 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.253 -0.276 . . . . 10.0 110.253 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 58.5 mt -72.49 -33.46 66.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.129 0.49 . . . . 10.0 110.261 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -23.6 64.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.948 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.34 -33.61 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.427 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -108.22 9.83 27.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.291 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 62.18 37.32 14.42 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.716 0.635 . . . . 10.0 111.262 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 123.52 31.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.34 -167.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 10.0 111.459 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -73.55 147.28 44.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.283 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 68.08 17.08 9.49 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.702 -0.681 . . . . 10.0 112.066 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.0 m -68.86 131.11 44.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.881 0.372 . . . . 10.0 110.212 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -98.29 123.87 42.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.103 -0.498 . . . . 10.0 110.7 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.33 138.49 40.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.431 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -95.0 127.61 41.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.0 107.61 18.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 10.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 11.3 t -103.74 143.06 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.157 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.7 mt -104.97 165.08 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.362 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -148.29 138.1 22.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.866 0.365 . . . . 10.0 110.56 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.2 mt -128.51 151.39 49.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.707 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -155.67 85.77 1.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.815 0.341 . . . . 10.0 110.634 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.28 24.25 73.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.996 -0.621 . . . . 10.0 111.939 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.033 0 N-CA-C 110.882 -0.887 . . . . 10.0 110.882 -179.379 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.478 0.18 . . . . 10.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.522 ' O ' ' HB2' ' C' ' 458' ' ' ASN . 2.9 m-20 70.74 25.5 4.01 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.141 0.576 . . . . 10.0 110.526 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -40.11 53.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -90.35 -34.81 15.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.757 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.74 -42.98 98.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' C' ' 454' ' ' ASN . 7.5 t-20 -63.25 -42.65 99.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.429 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.25 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 52.2 mtm -64.24 -40.39 95.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.9 96.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.85 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.53 -41.29 89.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.382 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' C' ' 467' ' ' MET . 24.8 tp60 -64.04 -38.93 92.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.07 -36.65 76.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.508 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -61.7 -27.73 68.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 10.0 109.986 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.59 -26.55 45.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.532 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 53.8 mmm -86.9 -37.91 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.028 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.78 86.17 23.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.73 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' C' ' 467' ' ' MET . 5.7 Cg_exo -78.22 49.51 3.04 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.047 2.498 . . . . 10.0 112.593 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -165.11 35.87 0.06 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.058 0.456 . . . . 10.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' C' ' 472' ' ' PRO . 11.1 p -141.09 134.11 14.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 32.3 Cg_exo -60.12 124.35 15.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 10.0 112.002 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -55.66 -39.15 70.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.628 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -62.81 -30.27 71.35 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.975 -0.29 . . . . 10.0 111.401 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 47.5 mt -75.41 -34.14 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.12 -40.86 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 93.6 mt -63.83 -31.53 72.74 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.304 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -65.1 -49.87 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 10.0 111.046 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.71 -38.1 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -31.72 67.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.599 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 72.7 mt-30 -78.41 -7.17 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.763 0.316 . . . . 10.0 111.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.0 mm? -112.68 -50.12 2.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.768 0.318 . . . . 10.0 111.296 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 68.0 p -83.26 -45.05 14.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.891 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 67.05 26.5 8.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.635 0.584 . . . . 10.0 111.19 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.4 t -149.62 128.85 12.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.051 0.453 . . . . 10.0 111.013 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 8.2 m -64.67 -25.82 38.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.832 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.32 -6.15 48.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.092 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.428 ' CG1' HD12 ' A' ' 73' ' ' LEU . 31.3 mt -113.47 -38.93 2.95 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 N-CA-C 110.021 -0.363 . . . . 10.0 110.021 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -62.74 -56.48 17.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.594 -0.276 . . . . 10.0 110.968 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -31.3 71.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.082 0.468 . . . . 10.0 110.171 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.5 -53.59 18.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.37 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -49.77 -41.12 43.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.018 -0.992 . . . . 10.0 110.961 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.82 -44.18 93.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.619 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -29.55 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 10.0 110.573 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.04 -39.79 33.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.099 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 115.44 28.53 2.75 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.718 -0.753 . . . . 10.0 112.895 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -76.59 -37.42 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.119 0.485 . . . . 10.0 110.016 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.55 127.68 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.546 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -64.9 125.21 24.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.155 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 23.4 m -83.4 161.67 56.11 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.861 -0.608 . . . . 10.0 109.901 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.98 90.32 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.441 2.094 . . . . 10.0 112.375 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -87.99 127.88 56.0 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.236 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.89 119.06 6.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.567 2.178 . . . . 10.0 112.072 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.086 -0.959 . . . . 10.0 109.364 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -103.48 133.09 49.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.248 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -121.81 160.88 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.919 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' THR . 96.0 m-85 -113.05 126.22 55.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.804 0.335 . . . . 10.0 110.749 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.2 t -105.61 118.93 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.829 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -97.21 127.13 42.89 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.089 0.471 . . . . 10.0 110.521 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.56 156.7 17.98 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.382 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -65.39 -6.83 11.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.14 10.99 37.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.029 0.442 . . . . 10.0 111.081 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 19.18 78.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.81 -0.71 . . . . 10.0 111.693 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -91.86 143.37 26.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.578 -0.311 . . . . 10.0 110.687 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -127.9 104.25 7.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.179 0.514 . . . . 10.0 110.234 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.3 135.02 38.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.159 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -110.22 118.1 35.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.62 152.36 39.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 111.806 -178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -92.17 118.36 30.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.337 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.09 -176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.836 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.1 mm-40 -146.74 157.29 47.73 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 108.713 -0.847 . . . . 10.0 108.713 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 51.7 Cg_exo -53.48 -33.19 66.46 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.342 2.028 . . . . 10.0 112.531 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.82 53.91 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.013 -0.54 . . . . 10.0 112.202 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -81.09 136.19 35.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.897 0.379 . . . . 10.0 110.574 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.54 149.27 31.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.805 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 54' ' ' ARG . 51.3 mm -56.77 -33.76 41.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.19 0.519 . . . . 10.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -59.99 -44.28 94.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.392 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.36 -37.21 86.4 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.412 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 30' ' ' ILE . 61.1 t -59.97 -46.42 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.323 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -63.76 -34.34 77.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.26 93.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.88 -35.67 78.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.099 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 26' ' ' VAL . 70.8 mt -66.6 -36.29 76.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -70.35 -31.72 69.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.233 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.63 -42.27 95.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -78.97 -66.01 0.92 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.387 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -70.2 -61.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.31 1.3 14.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.045 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.64 122.84 86.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.407 -0.22 . . . . 10.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 35.1 Cg_exo -59.5 148.94 84.89 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.396 2.064 . . . . 10.0 111.897 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -57.45 -20.17 39.37 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.765 2.31 . . . . 10.0 112.623 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.42 -18.56 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.149 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -117.79 13.29 14.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.419 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -107.3 96.93 6.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.674 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.8 103.74 13.4 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.422 -0.955 . . . . 10.0 108.422 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' C ' HD12 ' A' ' 44' ' ' ILE . 24.8 mt -83.79 136.0 34.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.121 0.486 . . . . 10.0 111.665 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.5 mp -131.25 141.59 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.101 -0.954 . . . . 10.0 109.794 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -139.48 123.52 17.81 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.27 22.32 12.69 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.698 0.623 . . . . 10.0 112.093 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.05 17.15 44.69 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.657 -0.783 . . . . 10.0 113.692 179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -138.83 153.61 48.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.211 0.506 . . . . 10.0 110.647 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' HG3' HD22 ' C' ' 494' ' ' LEU . 0.6 OUTLIER -81.92 153.22 26.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.136 0.494 . . . . 10.0 111.781 -179.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -107.7 147.67 30.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.042 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 33.2 mt-10 -94.93 143.91 26.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.69 0.281 . . . . 10.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -38.15 76.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.519 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 22.59 16.06 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.965 -0.636 . . . . 10.0 113.979 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 37.0 mmt180 -115.07 161.68 18.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.993 0.397 . . . . 10.0 110.043 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 p -106.71 166.4 10.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.505 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 85.0 mt -66.45 -28.62 68.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.941 0.4 . . . . 10.0 110.617 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -21.11 62.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.177 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.7 m-20 -62.9 -49.69 73.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.168 0.509 . . . . 10.0 110.999 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -90.53 13.26 16.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.384 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 59.08 40.49 21.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.695 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.19 115.28 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.096 0.474 . . . . 10.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -102.79 -162.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.982 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 36.1 pttt -79.09 160.37 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 38.2 mt-10 73.2 -7.83 1.44 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.175 0.59 . . . . 10.0 111.752 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.3 m -64.46 138.77 58.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 10.0 111.11 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.1 m -105.2 117.34 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.497 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.59 149.39 21.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.622 . . . . 10.0 110.259 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.498 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 33.5 m80 -103.26 136.2 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.335 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.8 tp -115.29 109.45 17.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 10.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' C' ' 490' ' ' THR . 50.9 t -90.81 129.24 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.792 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -89.45 137.36 32.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 10.0 109.888 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' C' ' 491' ' ' ASP . 3.6 ttm180 -131.72 108.75 9.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 10.0 110.619 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD11 HG12 ' C' ' 488' ' ' ILE . 0.8 OUTLIER -73.14 -178.68 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.628 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.16 18.6 3.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.303 0.573 . . . . 10.0 110.177 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.81 87.1 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.469 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.854 0 CA-C-O 119.093 -0.837 . . . . 10.0 111.379 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.179 -0.304 . . . . 10.0 110.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -106.95 126.32 52.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.782 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.8 pt -114.37 160.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.968 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.02 118.87 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 10.0 111.139 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.08 127.18 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.751 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.11 127.29 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.057 0.456 . . . . 10.0 110.683 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -94.13 164.47 13.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.504 HD11 HG13 ' B' ' 70' ' ' VAL . 95.6 mt -62.47 -23.42 66.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.53 -0.305 . . . . 10.0 111.4 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -22.03 57.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 10.0 110.936 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.5 29.92 6.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.659 -0.781 . . . . 10.0 112.54 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.44 132.4 50.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.55 107.08 19.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.833 0.349 . . . . 10.0 110.479 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -98.75 124.99 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.689 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -96.08 127.77 42.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.444 HD11 HG12 ' B' ' 30' ' ' ILE . 76.4 mt -126.48 135.31 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.736 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -91.72 106.37 18.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.58 175.39 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.843 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.526 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -124.62 152.81 69.54 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.969 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.67 -25.55 68.47 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.473 2.116 . . . . 10.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -85.29 -1.76 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.932 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.13 155.69 30.34 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.98 0.419 . . . . 10.0 110.713 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -94.24 148.45 22.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.915 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.19 -38.31 60.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.01 0.433 . . . . 10.0 110.382 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.32 -42.77 82.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.703 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -71.81 -31.33 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.198 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 22' ' ' THR . 84.6 t -61.25 -50.99 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.318 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -70.08 -24.27 63.2 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.742 0.306 . . . . 10.0 110.761 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.44 83.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 10.0 109.716 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.94 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.444 HG12 HD11 ' B' ' 15' ' ' LEU . 61.9 mt -71.47 -34.28 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.863 -0.791 . . . . 10.0 108.863 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.36 -39.62 92.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.854 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.01 -36.39 75.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -83.43 -60.34 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -85.16 -20.33 30.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.93 24.05 56.18 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.435 -0.888 . . . . 10.0 112.779 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -100.31 123.36 46.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 122.845 -0.209 . . . . 10.0 110.549 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.9 Cg_exo -56.85 131.24 44.32 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.456 2.104 . . . . 10.0 111.639 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -58.9 -21.4 57.45 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.593 2.195 . . . . 10.0 112.589 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -17.44 61.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.223 0.535 . . . . 10.0 110.397 179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -111.6 12.83 21.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.886 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -104.98 118.77 37.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.07 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.416 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 7.2 ttt180 -112.09 99.64 8.23 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 178.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.8 mt -93.3 124.54 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.449 . . . . 10.0 110.952 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.42 134.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.263 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.6 t80 -132.53 121.28 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.266 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 31.65 21.46 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.921 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.28 90.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.505 -0.855 . . . . 10.0 112.465 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.419 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 33.6 mtmt -106.62 130.46 54.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -77.43 135.8 38.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.1 mt -90.68 124.21 34.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.973 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -88.84 136.19 33.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.256 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.97 -39.89 66.38 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.94 16.55 11.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.978 -0.63 . . . . 10.0 114.445 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -121.26 165.26 15.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 117.808 0.804 . . . . 10.0 110.341 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 71.8 p -97.95 173.99 6.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.526 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -69.45 -40.13 77.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.044 0.449 . . . . 10.0 109.958 178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 38.9 m -66.49 -20.13 65.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.977 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.4 OUTLIER -57.16 -40.16 76.71 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.936 0.398 . . . . 10.0 110.789 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -104.81 17.07 24.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.699 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 63.54 29.01 15.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.667 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.9 mt -76.48 119.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.381 . . . . 10.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -124.19 -155.81 0.68 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.516 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.04 157.29 37.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.592 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 65.18 17.11 10.9 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.923 -0.581 . . . . 10.0 112.423 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.2 m -85.56 135.99 33.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.983 0.42 . . . . 10.0 111.21 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -104.31 123.45 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.638 -0.71 . . . . 10.0 110.004 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -109.34 134.18 52.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.889 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -96.72 132.76 42.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.727 -0.471 . . . . 10.0 109.727 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -116.89 112.56 21.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.193 0.521 . . . . 10.0 111.557 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.504 HG13 HD11 ' B' ' 8' ' ' LEU . 99.4 t -97.28 129.68 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.786 179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.34 151.74 34.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.071 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -127.28 88.22 2.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 mt -80.87 127.97 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.027 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -115.7 -55.09 2.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.204 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.11 101.82 0.25 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.268 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 119.094 -0.837 . . . . 10.0 111.274 179.422 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.415 0.15 . . . . 10.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 58.6 31.46 21.11 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.693 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.4 m -64.13 -42.99 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.558 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -66.65 -36.15 81.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.9 -41.9 86.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . 0.511 ' HA ' HD21 ' C' ' 477' ' ' LEU . 15.5 t-20 -64.19 -44.05 93.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.22 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.916 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.2 mtm -65.9 -39.11 90.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.422 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.17 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.537 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' C' ' 466' ' ' GLU . 13.1 t60 -61.58 -44.5 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.263 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -38.01 85.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.425 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.421 HG23 HG23 ' C' ' 490' ' ' THR . 61.1 mt -70.24 -36.31 66.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.492 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -65.17 -27.64 68.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.064 0.459 . . . . 10.0 110.249 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 462' ' ' HIS . 42.2 mt-10 -72.44 -21.66 61.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.398 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 1.3 mtm -97.88 -42.07 7.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.248 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 12.1 m-85 -118.99 93.28 46.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.93 0.395 . . . . 10.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.24 12.42 3.02 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.646 2.231 . . . . 10.0 112.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.31 8.79 27.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.254 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.23 130.3 24.41 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.39 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.418 ' O ' HG23 ' C' ' 476' ' ' VAL . 53.1 Cg_exo -56.84 132.32 51.0 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.877 2.384 . . . . 10.0 112.853 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.41 -42.86 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.352 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.47 -25.11 67.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.432 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.08 -35.75 36.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.418 HG23 ' O ' ' C' ' 472' ' ' PRO . 39.7 t -65.64 -42.04 91.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' C' ' 458' ' ' ASN . 17.3 mt -60.32 -30.72 69.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.801 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.82 -46.23 91.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.467 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.522 ' HB3' HG23 ' C' ' 489' ' ' THR . 12.6 t70 -67.62 -40.76 84.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.26 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' C' ' 480' ' ' LEU . 2.3 mm? -59.48 -31.08 69.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.418 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -76.76 -6.92 54.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.642 -0.708 . . . . 10.0 111.737 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -116.54 -54.28 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.644 0.259 . . . . 10.0 111.601 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . 0.441 ' HB ' HD12 ' C' ' 488' ' ' ILE . 82.2 p -82.79 -39.94 21.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.738 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 63.61 33.72 13.03 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.525 0.515 . . . . 10.0 110.94 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 29.2 t -155.16 129.04 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.324 . . . . 10.0 111.113 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.72 -18.47 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.402 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.46 -18.3 61.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.057 0.456 . . . . 10.0 110.545 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.441 HD12 ' HB ' ' C' ' 483' ' ' THR . 10.8 mt -106.84 -42.53 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.773 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.522 HG23 ' HB3' ' C' ' 479' ' ' ASP . 59.3 m -56.85 -58.87 6.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.464 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.11 -35.22 74.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.534 -179.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 4.2 t70 -71.17 -40.37 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -57.75 -40.63 80.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.284 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.84 -41.25 91.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.484 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.447 HD22 ' HG3' ' A' ' 49' ' ' GLN . 29.7 mt -67.2 -44.27 80.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.596 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -71.01 -30.11 66.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 107.28 45.51 1.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.513 -0.851 . . . . 10.0 113.549 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -86.26 -33.31 20.73 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.55 137.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.855 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -66.66 135.67 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 10.0 111.052 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 13.4 m -95.73 155.1 38.87 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.11 104.05 0.69 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.422 2.081 . . . . 10.0 111.968 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -122.65 135.03 25.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.55 128.7 28.09 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.569 2.179 . . . . 10.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.303 -0.856 . . . . 10.0 109.395 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.785 0.326 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -109.46 131.9 54.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.855 0.36 . . . . 10.0 111.042 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -123.2 162.6 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 132.29 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.855 0.359 . . . . 10.0 111.085 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.8 t -116.89 121.17 67.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.103 -0.498 . . . . 10.0 109.76 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -102.16 135.37 43.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.994 0.426 . . . . 10.0 110.672 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -103.5 172.29 6.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.049 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.0 mt -68.3 -16.37 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.366 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -7.07 58.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.051 0.453 . . . . 10.0 111.243 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.76 10.23 65.26 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.821 -0.704 . . . . 10.0 111.825 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -91.57 121.03 32.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.857 0.361 . . . . 10.0 110.322 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -104.58 126.36 51.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.197 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.05 156.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.484 -0.325 . . . . 10.0 110.91 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 122.38 46.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.525 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.9 mt -115.72 136.49 53.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.206 0.527 . . . . 10.0 112.189 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -90.09 108.95 20.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.089 -0.959 . . . . 10.0 108.992 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 m -138.08 -178.04 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.678 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -139.23 158.04 69.87 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 108.794 -0.817 . . . . 10.0 108.794 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -30.08 74.03 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.176 1.917 . . . . 10.0 112.679 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -1.46 55.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 10.0 112.094 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.77 147.66 39.09 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.812 0.339 . . . . 10.0 110.674 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.5 p -93.84 150.19 20.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.236 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -58.92 -37.31 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.17 -42.92 99.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.171 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -66.09 -38.95 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 10.0 110.162 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 22' ' ' THR . 58.3 t -62.35 -42.14 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.523 . . . . 10.0 110.219 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.14 -35.66 81.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.565 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.54 78.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.329 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -68.31 -32.78 73.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.239 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.95 -34.18 65.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.248 0.546 . . . . 10.0 109.576 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.96 -26.83 63.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.836 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -77.81 -26.45 49.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.761 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -94.96 -57.23 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -88.71 -43.87 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.856 0.36 . . . . 10.0 111.22 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.9 -4.38 34.09 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.465 -0.874 . . . . 10.0 112.053 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.31 124.5 85.85 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.185 . . . . 10.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.3 Cg_exo -59.64 131.98 43.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.517 2.145 . . . . 10.0 111.965 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 36.5 Cg_exo -56.92 -20.61 37.15 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.126 2.55 . . . . 10.0 112.655 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -32.86 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.328 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -111.14 18.27 19.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.796 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -96.26 107.45 19.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.024 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -111.17 103.13 11.53 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.18 112.23 21.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.003 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -102.33 133.68 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.577 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 50' ' ' LEU . 47.9 t80 -133.85 121.9 22.44 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.415 -0.811 . . . . 10.0 108.886 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.43 12.59 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.537 0.523 . . . . 10.0 111.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.38 10.69 59.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.525 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -134.53 151.95 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.103 0.452 . . . . 10.0 110.459 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -83.26 145.46 29.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.181 0.515 . . . . 10.0 112.002 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.1 mt -95.33 148.23 22.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.837 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.4 mt-10 -93.22 145.08 24.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.861 0.363 . . . . 10.0 110.866 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -38.46 87.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.436 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.02 37.05 3.23 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.016 -0.611 . . . . 10.0 113.425 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 54.6 mmm-85 -132.59 160.77 35.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.964 0.382 . . . . 10.0 110.05 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 17.4 p -102.56 163.5 12.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.209 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 18' ' ' GLU . 67.7 mt -64.75 -32.98 74.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.769 0.318 . . . . 10.0 111.079 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.8 m -67.0 -21.6 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.141 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 15.7 m-20 -66.49 -25.39 66.68 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.115 0.484 . . . . 10.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.94 8.73 20.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.445 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.46 31.3 20.28 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -74.12 116.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.054 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -108.81 -165.76 1.05 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.23 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 42.1 pttt -71.81 153.52 41.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.184 -0.302 . . . . 10.0 110.184 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 35.9 mt-10 73.32 -3.67 2.4 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.202 0.601 . . . . 10.0 112.573 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -63.24 141.16 58.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 10.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -106.87 116.45 31.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.034 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.98 142.64 32.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.713 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -103.48 127.13 50.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.647 -0.252 . . . . 10.0 110.376 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 tp -101.45 116.07 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.038 0.447 . . . . 10.0 111.135 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' C' ' 490' ' ' THR . 95.9 t -109.28 147.65 13.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.031 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.0 mt -100.59 -171.63 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 10.0 110.801 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 17.2 ttt180 -161.51 136.37 7.3 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mp -141.22 87.19 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.131 0.491 . . . . 10.0 110.526 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -105.89 64.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.208 0.528 . . . . 10.0 110.26 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.81 -104.85 0.4 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.101 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.477 -1.18 . . . . 10.0 111.77 -179.659 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.7 ptt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -90.62 133.76 34.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.009 0.433 . . . . 10.0 111.196 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -120.56 159.24 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.889 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 84.4 m-85 -115.91 106.94 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.989 0.423 . . . . 10.0 110.883 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -95.91 116.21 37.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.536 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.5 126.74 50.83 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.101 0.477 . . . . 10.0 111.192 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -95.11 164.73 12.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.405 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.95 -8.41 29.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.392 . . . . 10.0 111.218 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -1.77 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.018 0.437 . . . . 10.0 110.68 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.58 13.16 73.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.661 -0.78 . . . . 10.0 112.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -94.32 133.3 38.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.352 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -106.79 113.38 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.094 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -98.64 135.0 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.075 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 138.2 41.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.438 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -143.61 147.21 34.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 10.0 111.404 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -97.8 104.29 16.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.744 . . . . 10.0 110.031 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.636 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -136.83 160.82 36.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.323 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.433 ' O ' HD12 ' B' ' 56' ' ' LEU . 16.0 mm-40 -115.3 158.9 40.11 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.122 -0.696 . . . . 10.0 109.122 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.09 -23.51 53.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 113.377 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.53 5.91 29.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.869 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.91 145.83 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -86.98 147.3 25.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.07 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.436 HD12 HD13 ' B' ' 50' ' ' LEU . 45.3 mm -54.9 -40.66 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 10.0 110.751 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.61 -44.27 93.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.51 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -66.53 -38.39 87.06 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.24 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.7 t -60.64 -44.95 98.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.752 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 46.1 mtmt -65.36 -34.21 77.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.538 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.22 -31.69 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.085 0.469 . . . . 10.0 109.913 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -75.31 -32.74 61.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.608 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 26' ' ' VAL . 65.8 mt -70.74 -36.88 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -63.03 -31.81 73.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.127 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.78 -35.46 72.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.172 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -85.39 -58.03 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.136 0.421 . . . . 10.0 112.136 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.09 -39.28 50.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.31 -6.91 56.16 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.655 -0.783 . . . . 10.0 112.038 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.19 125.96 84.24 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.169 . . . . 10.0 110.618 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.4 Cg_exo -55.43 147.52 56.97 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.944 2.429 . . . . 10.0 112.559 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 22.9 Cg_exo -63.39 -19.31 67.85 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.944 2.429 . . . . 10.0 112.294 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -35.53 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.578 . . . . 10.0 110.113 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -91.26 1.83 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.13 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.424 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 71.4 mt-30 -96.11 113.97 25.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -114.76 100.54 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.0 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.1 mt -90.33 134.05 34.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.554 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.12 133.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.459 -0.792 . . . . 10.0 110.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -123.07 110.99 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.495 -0.32 . . . . 10.0 110.873 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.77 6.16 2.58 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.571 -0.74 . . . . 10.0 112.782 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.58 -15.22 9.17 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.709 -0.758 . . . . 10.0 111.921 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -96.65 140.79 30.73 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -84.62 138.3 32.78 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.949 -0.389 . . . . 10.0 109.949 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.436 HD13 HD12 ' B' ' 23' ' ' ILE . 34.8 mt -85.59 133.33 34.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.529 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -94.22 142.77 27.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.486 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -55.81 -49.78 72.29 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.73 0.641 . . . . 10.0 112.73 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 36.51 2.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 121.033 -0.603 . . . . 10.0 114.524 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 48.7 mmm-85 -130.54 163.86 26.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.172 0.486 . . . . 10.0 109.834 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.4 162.3 13.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.842 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.433 HD12 ' O ' ' B' ' 18' ' ' GLU . 66.9 mt -65.91 -24.93 66.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.925 0.393 . . . . 10.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.4 p -72.58 -17.7 61.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.366 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -34.1 75.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 10.0 111.461 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -100.54 7.4 44.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.752 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 55.9 49.04 16.75 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.773 -0.649 . . . . 10.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -86.21 131.82 33.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.61 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -108.58 -171.7 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.253 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -78.1 156.33 30.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.293 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 62.01 22.86 13.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.862 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -84.79 140.19 31.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 59.1 m -97.78 122.15 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.956 0.408 . . . . 10.0 110.802 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.26 149.51 35.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.878 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -97.65 130.2 44.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.561 0.219 . . . . 10.0 110.518 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -112.48 110.39 20.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.279 0.561 . . . . 10.0 110.821 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.6 t -102.73 151.35 6.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.272 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt -97.58 157.51 15.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.878 0.371 . . . . 10.0 110.567 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -130.67 126.36 36.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.14 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -110.87 137.07 48.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.142 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 74' ' ' ARG . 26.1 ttp85 -90.45 -31.19 16.92 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.98 64.75 0.84 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.553 -0.619 . . . . 10.0 111.553 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.136 -1.369 . . . . 10.0 111.329 -179.634 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.422 0.153 . . . . 10.0 111.181 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 67.72 23.1 8.74 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.892 0.477 . . . . 10.0 111.147 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.87 -52.52 59.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.79 0.329 . . . . 10.0 110.829 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.84 -40.13 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.571 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 91.5 mt -62.38 -42.52 99.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.709 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -64.79 -46.84 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.93 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 37.2 mtm -62.24 -43.54 98.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.21 75.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -60.51 -42.1 95.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -65.74 -43.07 90.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.851 0.358 . . . . 10.0 110.654 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.606 HD11 HG12 ' C' ' 486' ' ' VAL . 65.0 mt -62.07 -33.81 60.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.538 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -62.38 -31.45 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.919 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -72.08 -36.06 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 10.0 110.394 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 5.7 mmm -74.77 -43.98 52.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.237 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -126.66 90.57 49.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.405 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -81.69 3.37 7.86 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.759 2.306 . . . . 10.0 112.591 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -94.36 -4.46 48.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.719 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.63 127.07 27.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 120.653 0.263 . . . . 10.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.456 ' HD2' HD12 ' C' ' 475' ' ' LEU . 51.2 Cg_exo -53.59 141.77 62.28 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.153 2.569 . . . . 10.0 113.222 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -58.47 -40.53 82.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.685 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -66.31 -26.89 67.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.294 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' C' ' 475' ' ' LEU . 12.3 mt -75.85 -38.94 57.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.946 -0.391 . . . . 10.0 109.946 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.45 -41.7 89.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.71 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 35.7 mt -64.63 -26.01 68.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.006 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -65.78 -49.45 68.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.884 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.77 -34.44 73.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 10.0 110.316 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -28.24 64.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.417 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 73.7 mt-30 -83.41 -7.6 59.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.283 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.5 mm? -107.87 -56.42 2.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 10.0 110.706 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 55.1 p -77.55 -45.61 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.673 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 67.16 26.11 8.86 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.193 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 21.7 t -147.95 115.54 6.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.518 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.606 HG12 HD11 ' C' ' 464' ' ' ILE . 3.5 m -56.31 -32.33 35.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.961 0.41 . . . . 10.0 111.738 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.43 -37.43 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.725 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.42 -29.92 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.374 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 92.4 m -61.84 -59.49 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.476 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.454 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -60.84 -30.6 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.242 0.544 . . . . 10.0 110.061 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.536 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 39.1 t0 -66.48 -47.25 73.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.417 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -57.04 -36.55 70.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.814 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.82 -45.19 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.71 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -39.62 80.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.728 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 49.9 mm-40 -66.73 -43.13 85.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.981 0.419 . . . . 10.0 110.562 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 119.87 41.54 0.56 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.654 -0.784 . . . . 10.0 113.106 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -91.93 -52.29 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.5 mp -84.14 132.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.87 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -72.14 133.64 45.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . 0.448 ' HB ' ' HD2' ' C' ' 501' ' ' PRO . 34.6 m -80.02 165.86 44.3 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.374 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' C' ' 500' ' ' VAL . 52.0 Cg_exo -54.62 110.68 0.56 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.412 2.075 . . . . 10.0 112.251 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . 0.403 ' CD2' ' HB ' ' C' ' 504' ' ' THR . 65.0 t80 -109.47 129.13 24.27 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.626 -0.715 . . . . 10.0 109.731 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.8 90.58 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.517 2.144 . . . . 10.0 112.047 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' C' ' 502' ' ' PHE . 13.9 t . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.567 -0.73 . . . . 10.0 109.899 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -102.77 135.5 44.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.893 0.378 . . . . 10.0 111.047 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -119.51 161.77 18.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.337 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 66' ' ' THR . 73.3 m-85 -113.27 131.94 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.73 120.25 64.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.737 0.303 . . . . 10.0 110.794 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -83.88 139.42 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.092 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -123.21 159.68 28.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -68.73 -15.26 63.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.088 0.47 . . . . 10.0 110.854 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -5.43 59.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.04 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.57 31.7 44.46 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.979 -0.629 . . . . 10.0 112.306 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -114.53 107.85 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.283 -0.265 . . . . 10.0 110.283 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.42 104.44 7.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.838 0.352 . . . . 10.0 110.643 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -87.44 134.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.09 123.06 48.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.5 mt -130.09 155.18 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.087 0.47 . . . . 10.0 111.865 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -93.29 116.5 29.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.697 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -134.09 167.66 25.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.043 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 56' ' ' LEU . 41.0 mm-40 -121.48 157.67 55.76 Favored Pre-proline 0 C--N 1.317 -0.817 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -55.03 -39.22 92.01 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.102 1.868 . . . . 10.0 112.047 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.69 5.54 24.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.95 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.8 t0 -74.57 143.76 44.3 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.885 -0.413 . . . . 10.0 109.885 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 26' ' ' VAL . 12.2 p -89.89 151.51 21.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.01 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -60.82 -33.78 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.049 0.452 . . . . 10.0 109.903 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.76 -44.65 96.49 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.008 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -63.3 -36.87 85.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.959 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' THR . 90.1 t -62.91 -43.77 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.81 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -63.13 -39.53 94.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.395 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.164 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.91 -42.74 89.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.041 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 26' ' ' VAL . 67.8 mt -64.9 -34.99 74.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.303 0.573 . . . . 10.0 109.475 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -67.85 -31.77 71.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.924 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -81.16 -22.2 39.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.361 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -93.94 -54.42 3.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.817 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -84.75 -44.03 13.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 10.0 111.285 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -24.76 9.39 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.366 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 44.1 mt -64.45 123.39 82.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 C-N-CA 122.318 0.247 . . . . 10.0 111.264 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 23.2 Cg_exo -64.46 148.69 90.74 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.569 2.179 . . . . 10.0 112.205 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 47.5 Cg_exo -56.07 -23.32 43.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.222 2.615 . . . . 10.0 112.884 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.53 -29.57 64.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.709 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -114.54 21.93 14.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.754 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -106.43 100.15 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 14.4 mtp180 -97.98 96.73 8.36 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -85.19 126.51 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.379 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.5 mp -122.45 139.63 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.868 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 50' ' ' LEU . 62.5 t80 -144.73 127.79 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.91 19.94 10.57 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.615 0.572 . . . . 10.0 111.567 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.27 63.15 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.748 -0.739 . . . . 10.0 113.751 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -134.73 152.32 51.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.181 0.49 . . . . 10.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -77.53 151.33 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.3 mt -103.09 141.83 35.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.896 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 64.7 mt-10 -82.74 144.04 30.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.184 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.99 -30.82 69.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.304 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.48 25.99 7.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.122 -0.561 . . . . 10.0 113.266 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.4 mmt180 -128.32 166.3 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.118 -0.327 . . . . 10.0 110.118 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.0 p -109.02 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.439 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 18' ' ' GLU . 64.5 mt -65.91 -36.62 83.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.6 m -65.82 -25.79 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.605 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -62.84 -34.44 77.34 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.173 0.511 . . . . 10.0 110.195 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -100.79 10.76 40.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.424 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 60.65 34.43 20.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.382 -0.826 . . . . 10.0 111.75 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -83.18 124.28 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.189 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -112.24 -164.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.538 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -73.05 154.13 40.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.769 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 67.63 14.73 9.61 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.803 0.689 . . . . 10.0 112.39 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -82.5 148.7 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.799 0.333 . . . . 10.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.3 m -111.49 122.52 48.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.764 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -105.29 156.84 17.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -107.7 127.39 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.71 -0.223 . . . . 10.0 110.523 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.7 tp -107.67 100.53 9.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.045 0.45 . . . . 10.0 110.153 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 42' ' ' ARG . 79.5 t -88.96 136.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.778 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.72 175.91 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.455 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -156.49 144.63 19.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.211 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.53 160.96 15.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.935 0.397 . . . . 10.0 111.27 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -129.34 130.39 46.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.384 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.95 -69.59 2.88 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.113 -0.565 . . . . 10.0 112.922 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.867 0 CA-C-O 118.412 -1.216 . . . . 10.0 112.858 -179.302 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.45 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.9 ptt? . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.188 -0.301 . . . . 10.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -104.99 135.0 47.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.065 0.459 . . . . 10.0 111.664 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -118.32 152.45 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.87 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -104.41 121.56 43.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.647 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -108.52 118.41 56.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -105.32 134.49 48.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.885 0.374 . . . . 10.0 110.695 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -102.29 173.23 6.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.945 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.98 -8.09 54.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.21 -4.2 46.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.094 0.473 . . . . 10.0 110.969 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.44 -12.88 67.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.55 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -66.01 126.04 27.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.802 0.335 . . . . 10.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -116.23 111.55 20.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.85 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.48 152.51 8.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.096 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.81 127.7 56.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.012 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.6 148.53 43.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.009 -0.277 . . . . 10.0 111.339 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -90.06 120.54 31.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.759 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 m -142.92 -177.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -146.69 159.96 42.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 108.712 -0.848 . . . . 10.0 108.712 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.64 -48.66 15.15 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.485 2.123 . . . . 10.0 112.228 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -82.61 63.43 6.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 10.0 111.181 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -138.58 123.46 18.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.707 -0.679 . . . . 10.0 109.433 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.8 141.51 51.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.333 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.4 -38.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.601 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.63 -38.62 81.85 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.396 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -68.17 -36.4 79.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.905 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.43 -39.22 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.927 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -62.41 -34.19 76.26 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.312 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -37.61 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.195 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.52 -36.18 83.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.02 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.67 -40.96 71.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.24 -42.26 94.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.37 -20.88 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.978 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -103.72 -57.63 2.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -82.92 -13.75 55.46 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.41 27.21 71.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.642 -0.79 . . . . 10.0 112.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.2 mt -103.61 122.74 43.78 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 110.186 -0.301 . . . . 10.0 110.186 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -56.54 139.83 88.39 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.584 2.189 . . . . 10.0 111.988 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.4 Cg_exo -59.24 -20.54 55.62 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.728 2.285 . . . . 10.0 112.225 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -17.47 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.53 11.11 19.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.951 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.9 106.59 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.37 94.28 4.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 mt -84.73 120.72 26.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 10.0 111.414 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -119.76 131.72 71.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.915 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.415 ' HB3' HD21 ' B' ' 50' ' ' LEU . 89.3 t80 -130.57 127.58 39.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.37 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.22 27.42 16.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.747 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.94 6.65 86.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.048 -0.596 . . . . 10.0 113.07 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -123.44 140.42 53.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.351 . . . . 10.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -81.61 137.02 35.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.184 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.0 mt -89.93 138.52 31.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.629 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.8 mt-10 -87.89 146.76 25.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.002 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.81 -31.8 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.309 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.37 32.31 5.56 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.776 -0.726 . . . . 10.0 112.956 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 30.1 mmt180 -126.04 158.34 35.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.746 0.308 . . . . 10.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 162.54 12.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.087 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.28 -37.4 87.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.976 0.417 . . . . 10.0 111.256 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -15.36 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.464 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.49 -32.12 70.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.284 0.564 . . . . 10.0 110.104 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.452 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.4 m-85 -103.37 11.26 36.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.082 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' C' ' 484' ' ' ARG . 59.5 t30 60.94 39.32 16.78 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.554 0.692 . . . . 10.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.452 HG13 ' HB2' ' B' ' 59' ' ' TYR . 67.3 mt -86.82 103.31 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.577 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 4.5 tt0 -94.89 -168.79 1.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.543 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 1.0 OUTLIER -72.3 161.12 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 32.5 mt-10 71.5 8.74 6.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.047 0.539 . . . . 10.0 111.907 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 31.7 m -82.02 144.11 31.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.273 -0.269 . . . . 10.0 110.273 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -108.04 122.8 47.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.26 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.75 134.97 49.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.693 -0.685 . . . . 10.0 109.288 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -94.64 122.25 37.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.756 0.312 . . . . 10.0 110.74 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 tp -101.05 106.18 17.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.47 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.5 t -98.24 140.85 17.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.027 -0.533 . . . . 10.0 109.614 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.0 mt -84.82 171.68 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.983 0.421 . . . . 10.0 111.137 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.89 105.15 3.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.346 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.2 155.7 18.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.697 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' B' ' 74' ' ' ARG . 3.9 mmp_? -129.07 -12.18 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.996 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.28 11.69 10.49 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.503 -0.856 . . . . 10.0 113.104 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 119.125 -0.82 . . . . 10.0 111.425 179.674 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.384 0.135 . . . . 10.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 68.96 20.12 7.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.551 0.532 . . . . 10.0 110.808 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -59.53 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.498 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.57 -30.99 71.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.581 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.84 -45.79 87.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.996 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -64.82 -41.59 95.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.215 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.69 88.25 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.717 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 50.5 mtm -67.52 -40.46 85.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.489 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.78 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -60.71 -41.23 94.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.022 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' C' ' 467' ' ' MET . 26.4 tp60 -64.97 -41.39 95.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.315 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.96 -33.76 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.32 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -64.95 -29.44 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.146 0.498 . . . . 10.0 109.944 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -78.23 -14.01 59.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.23 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.433 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 87.9 mmm -96.18 -37.06 10.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.1 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -132.94 83.1 53.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.693 179.276 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.2 41.69 0.9 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.928 2.419 . . . . 10.0 112.655 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -137.32 -19.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.64 130.91 35.34 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.494 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.54 130.17 35.33 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.787 2.325 . . . . 10.0 112.742 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -51.29 -41.97 60.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 10.0 112.288 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -66.46 -30.97 71.43 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.901 0.334 . . . . 10.0 111.901 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.39 -34.24 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.8 -43.88 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.758 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.29 -26.48 68.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.406 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -65.13 -53.52 43.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.6 -26.78 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.216 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -29.92 66.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -88.77 -6.18 57.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.085 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.91 -61.09 1.43 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.14 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 12.8 p -77.92 -39.24 43.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.022 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.429 ' HB2' ' ND2' ' B' ' 60' ' ' ASN . 7.3 mtt180 57.48 37.77 27.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.321 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 6.1 t -157.18 116.52 3.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.073 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.79 -23.77 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 10.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -71.13 -21.69 62.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.667 . . . . 10.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 19.1 mt -107.43 -40.19 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.247 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.439 ' O ' HG13 ' C' ' 493' ' ' ILE . 21.1 m -56.03 -64.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.902 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -36.05 72.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.758 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 11.0 t70 -66.54 -54.75 20.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.115 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -16.77 63.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.475 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.439 HG13 ' O ' ' C' ' 489' ' ' THR . 18.0 mt -65.61 -42.03 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.79 -35.66 75.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.269 -0.878 . . . . 10.0 110.265 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.75 -36.7 83.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.568 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.69 30.45 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.77 -0.729 . . . . 10.0 112.898 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -70.08 -46.36 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.248 0.547 . . . . 10.0 109.635 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.42 HD13 HG12 ' C' ' 493' ' ' ILE . 4.2 mp -90.8 129.21 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -66.93 119.5 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.152 0.501 . . . . 10.0 110.809 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.13 160.99 81.23 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.44 105.12 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.544 2.162 . . . . 10.0 112.147 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -99.29 139.93 21.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.667 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -65.88 85.15 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.4 0 C-N-CA 122.681 2.254 . . . . 10.0 112.316 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.327 -0.844 . . . . 10.0 109.506 179.627 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.23 -0.285 . . . . 10.0 110.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -116.28 133.69 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 pt -122.97 160.05 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.177 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 66' ' ' THR . 94.9 m-85 -115.43 129.28 56.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.14 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.3 126.43 74.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -111.4 133.98 53.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.182 0.515 . . . . 10.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -98.41 171.32 8.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.815 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.7 mt -67.7 -14.5 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.148 0.499 . . . . 10.0 110.573 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -8.58 58.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.686 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.05 17.06 59.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.063 -0.589 . . . . 10.0 113.001 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -95.02 129.64 42.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.928 0.364 . . . . 10.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.16 121.43 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.441 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -107.57 131.3 58.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.46 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.8 114.86 27.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.242 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 30' ' ' ILE . 56.8 mt -117.63 147.03 43.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.061 0.457 . . . . 10.0 112.007 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -101.16 119.47 38.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 10.0 109.226 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' ' HG2' ' A' ' 1' ' ' MET . 13.0 m -143.55 165.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.067 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 26.6 mm-40 -119.5 159.87 44.18 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 108.984 -0.747 . . . . 10.0 108.984 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.4 -27.53 49.37 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.542 2.161 . . . . 10.0 113.18 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.98 1.3 53.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -73.4 128.49 35.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.931 0.396 . . . . 10.0 110.776 -179.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.58 145.53 34.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.439 179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -56.16 -38.65 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.984 0.421 . . . . 10.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.69 -39.25 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.158 0.504 . . . . 10.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -68.64 -37.8 79.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.073 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 22' ' ' THR . 99.2 t -62.31 -42.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.186 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -63.33 -32.99 74.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.555 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.19 80.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.79 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.27 -32.5 73.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 10.0 109.667 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.45 HG12 HD11 ' A' ' 15' ' ' LEU . 75.8 mt -72.3 -44.97 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.785 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -59.73 -34.59 73.13 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.62 -0.718 . . . . 10.0 111.127 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.62 -26.45 68.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.425 . . . . 10.0 112.051 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -105.93 -46.97 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.036 0.384 . . . . 10.0 112.036 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.52 -34.94 46.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.937 0.399 . . . . 10.0 111.84 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.51 -24.96 28.27 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.014 -0.613 . . . . 10.0 111.819 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.57 122.9 64.16 Favored Pre-proline 0 C--N 1.327 -0.373 0 C-N-CA 122.712 0.405 . . . . 10.0 111.076 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 31.5 Cg_exo -57.77 136.71 77.15 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.605 2.204 . . . . 10.0 112.271 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 38.0 Cg_exo -58.0 -22.71 56.54 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.908 2.405 . . . . 10.0 112.662 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.58 -22.11 63.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.41 0.624 . . . . 10.0 110.831 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -104.92 8.6 34.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.289 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -103.16 115.24 30.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.263 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -112.03 99.15 7.86 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.562 . . . . 10.0 109.481 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -77.29 119.98 21.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.923 0.392 . . . . 10.0 110.827 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -117.96 141.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.977 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -139.83 117.36 11.45 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.66 38.97 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.358 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 6.62 88.09 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.856 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -115.02 143.64 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.244 0.522 . . . . 10.0 110.779 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -88.56 131.03 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.912 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 mt -86.38 143.56 27.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 1.9 mt-10 -94.14 149.7 20.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.708 0.289 . . . . 10.0 110.285 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -42.89 99.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.76 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.58 45.28 3.34 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.754 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 29.6 mmt180 -138.4 165.62 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.8 p -111.97 170.37 8.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.811 0.339 . . . . 10.0 110.606 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.79 -34.47 78.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.913 0.387 . . . . 10.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 m -64.54 -26.98 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.361 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -66.42 -25.38 66.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.01 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -111.16 10.57 21.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.735 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 60.99 27.91 17.75 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.379 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.6 mt -80.77 125.86 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.796 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -134.23 -153.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.304 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -68.72 155.56 39.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.271 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 67.72 4.57 3.97 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.901 -0.591 . . . . 10.0 112.479 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -85.59 130.7 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.4 m -101.7 118.48 37.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.611 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.16 146.2 24.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.114 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.548 ' HB3' ' SD ' ' C' ' 467' ' ' MET . 29.2 m80 -105.59 151.97 23.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.419 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.45 117.88 27.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.371 0.605 . . . . 10.0 111.914 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.625 HG13 ' HB ' ' C' ' 490' ' ' THR . 37.6 t -98.63 145.21 10.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.306 -0.861 . . . . 10.0 109.485 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD13 ' HG2' ' C' ' 487' ' ' GLU . 67.2 mt -103.05 -174.91 2.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.783 0.325 . . . . 10.0 110.891 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 12.4 ttt180 -149.52 149.98 31.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.786 -0.449 . . . . 10.0 109.786 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD12 HG12 ' C' ' 488' ' ' ILE . 0.6 OUTLIER -140.4 97.89 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.88 0.372 . . . . 10.0 111.332 -179.249 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.59 ' NH2' ' HG3' ' C' ' 495' ' ' GLU . 68.3 mmt-85 -130.65 31.48 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.097 0.475 . . . . 10.0 110.486 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.15 45.16 0.91 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.188 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.808 -0.996 . . . . 10.0 111.477 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -103.31 141.02 36.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.986 0.422 . . . . 10.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.35 159.94 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.779 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -117.79 115.16 24.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.852 0.358 . . . . 10.0 111.091 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -103.34 114.93 44.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -103.3 124.36 48.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.15 0.5 . . . . 10.0 110.868 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.77 165.6 14.59 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.329 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -59.96 -20.39 57.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.218 -0.446 . . . . 10.0 112.002 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.5 p -83.83 -5.1 59.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.101 0.477 . . . . 10.0 111.025 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.27 -11.54 65.39 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.614 -0.594 . . . . 10.0 111.614 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.66 127.09 30.25 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.869 0.366 . . . . 10.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -114.28 107.8 16.07 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.285 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.45 133.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.912 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.2 m -99.67 120.34 39.54 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.303 -0.628 . . . . 10.0 109.303 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.45 156.51 33.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.037 0.446 . . . . 10.0 111.594 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -101.59 120.18 39.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.219 -0.9 . . . . 10.0 110.102 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.3 m -139.41 173.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.485 ' O ' HD12 ' B' ' 56' ' ' LEU . 47.5 mm-40 -125.76 157.92 67.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.54 -31.14 77.4 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.572 2.182 . . . . 10.0 113.244 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.28 9.72 27.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.925 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.95 138.81 39.9 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.72 -0.392 . . . . 10.0 110.03 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 2.0 m -86.93 143.29 27.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.677 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 46.5 mm -53.08 -42.19 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.539 -0.3 . . . . 10.0 111.249 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -40.52 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.623 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -69.1 -35.33 76.34 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.994 0.426 . . . . 10.0 109.898 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 56.9 t -62.9 -43.59 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 23.6 mtpt -61.72 -39.2 90.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.29 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.764 . . . . 10.0 110.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -63.59 -41.9 98.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.47 -39.03 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.244 0.545 . . . . 10.0 109.852 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.28 -37.24 86.46 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.516 -0.765 . . . . 10.0 110.483 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.91 -20.78 61.72 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.788 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -91.77 -64.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.762 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -80.54 -31.12 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 112.161 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.57 -7.64 59.7 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.644 -0.789 . . . . 10.0 112.863 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.89 122.18 86.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.509 -0.182 . . . . 10.0 110.509 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -55.34 140.71 82.18 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.075 2.517 . . . . 10.0 112.883 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 25.2 Cg_exo -62.52 -22.59 74.19 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.077 2.518 . . . . 10.0 113.117 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -71.17 -21.92 62.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 10.0 110.655 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -101.29 -3.94 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.346 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -89.44 120.23 30.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.64 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -121.91 95.5 4.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.3 mt -82.03 131.19 35.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.577 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -126.32 131.25 71.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.432 ' HB3' HD21 ' B' ' 50' ' ' LEU . 64.5 t80 -128.35 120.58 27.3 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.622 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.84 28.48 17.52 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.735 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.96 -3.33 80.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.827 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -108.37 128.58 54.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.667 0.234 . . . . 10.0 110.448 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.15 134.03 40.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.3 mt -82.37 130.29 35.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.909 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -89.15 135.37 33.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.91 0.386 . . . . 10.0 109.978 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -47.74 19.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.363 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 37.14 2.84 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.663 -0.78 . . . . 10.0 114.343 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' O ' HG12 ' B' ' 23' ' ' ILE . 54.6 mmt-85 -130.31 166.03 21.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 117.339 0.57 . . . . 10.0 110.031 179.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.1 p -104.89 175.72 5.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.743 0.306 . . . . 10.0 110.203 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.485 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.8 mt -70.63 -32.75 70.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.152 0.501 . . . . 10.0 110.206 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.3 m -72.8 -15.32 61.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 10.0 110.726 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.7 m-20 -70.22 -26.7 63.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.063 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -116.62 13.93 15.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.481 -0.327 . . . . 10.0 111.213 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 62.1 39.64 12.78 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.408 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.58 90.61 2.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.164 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -79.94 -177.83 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.2 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -71.04 156.71 39.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.056 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.83 12.93 8.71 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.648 -0.706 . . . . 10.0 112.216 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 38.1 m -83.17 147.1 28.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.718 0.294 . . . . 10.0 110.226 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.6 m -103.81 129.39 51.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.093 0.473 . . . . 10.0 111.052 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.432 HD23 HD11 ' B' ' 50' ' ' LEU . 3.1 mp -113.28 144.98 41.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.704 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -97.78 125.17 42.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.373 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -102.71 104.62 14.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 10.0 110.603 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -96.9 133.01 40.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.708 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.28 121.87 36.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.045 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -105.12 112.4 25.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.875 0.369 . . . . 10.0 110.799 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -90.62 141.22 29.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.402 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -136.22 120.88 18.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.085 0.469 . . . . 10.0 111.052 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.17 109.49 0.56 Allowed Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.613 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.216 0 CA-C-O 118.517 -1.157 . . . . 10.0 111.595 -179.644 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.532 0.206 . . . . 10.0 110.818 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.34 30.55 17.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.618 0.367 . . . . 10.0 111.542 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.2 m -59.85 -58.3 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.689 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -58.72 -38.87 79.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.889 0.376 . . . . 10.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.62 -44.95 92.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.044 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -63.06 -43.39 98.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -44.83 87.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.822 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.8 mtm -62.71 -43.03 99.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.822 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.98 97.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.806 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -63.38 -38.19 90.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.652 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -64.28 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 10.0 110.011 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.444 HD11 HG12 ' C' ' 486' ' ' VAL . 92.7 mt -71.62 -38.51 67.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.12 -0.491 . . . . 10.0 109.916 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.67 -34.46 72.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.115 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.24 -37.36 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 68' ' ' HIS . 14.6 mtm -79.49 -39.98 30.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.903 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.423 ' O ' HG12 ' C' ' 471' ' ' VAL . 27.9 m-85 -120.49 80.31 30.16 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.54 39.19 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.405 2.07 . . . . 10.0 111.891 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -142.38 15.37 2.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.895 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.423 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.6 p -124.9 132.7 24.36 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.157 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.12 129.27 32.56 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.541 2.161 . . . . 10.0 112.783 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.83 -41.61 67.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.404 -0.816 . . . . 10.0 112.183 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -66.07 -27.72 68.29 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.78 0.289 . . . . 10.0 111.78 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 475' ' ' LEU . 18.1 mt -72.96 -39.67 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.05 -47.58 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 10.0 110.123 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 19.5 mt -63.21 -29.82 71.08 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.183 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.46 -51.73 47.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.291 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.64 -34.09 77.08 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.5 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -24.29 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.139 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -91.41 -14.83 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.869 0.366 . . . . 10.0 110.729 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.3 mm? -96.57 -52.17 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.116 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . 0.484 ' HB ' HD12 ' C' ' 488' ' ' ILE . 28.4 p -82.24 -34.16 28.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.951 0.405 . . . . 10.0 110.673 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.69 19.62 10.76 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.253 -0.885 . . . . 10.0 111.79 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -154.6 134.73 13.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.012 0.435 . . . . 10.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.444 HG12 HD11 ' C' ' 464' ' ' ILE . 28.3 m -67.64 -15.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.128 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' ' 71' ' ' LEU . 13.1 mt-10 -75.3 -21.44 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.374 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' C' ' 483' ' ' THR . 0.0 OUTLIER -105.11 -32.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.697 -0.401 . . . . 10.0 110.956 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 34.9 m -57.93 -51.76 68.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 10.0 110.877 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.625 ' HB ' HG13 ' A' ' 70' ' ' VAL . 14.7 p -72.08 -33.68 68.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.115 0.483 . . . . 10.0 110.671 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 56.8 t0 -63.38 -61.34 2.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.289 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' C' ' 497' ' ' ARG . 75.3 m-20 -52.39 -28.27 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.366 -0.834 . . . . 10.0 112.808 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 76.0 mt -71.72 -43.19 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.46 HD13 HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -67.54 -23.06 65.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 10.0 110.371 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.59 ' HG3' ' NH2' ' A' ' 74' ' ' ARG . 4.5 mm-40 -82.14 -56.18 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.303 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.57 40.19 0.33 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.868 -0.605 . . . . 10.0 112.203 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' C' ' 492' ' ' ASN . 9.9 tpp180 -100.25 -23.21 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.53 . . . . 10.0 110.403 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.52 139.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.175 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.27 113.24 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.795 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 17.1 m -80.08 158.71 72.0 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.459 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.82 98.95 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.536 2.158 . . . . 10.0 112.385 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -113.17 135.43 21.76 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.583 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.95 98.51 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.582 2.188 . . . . 10.0 112.098 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.205 -0.902 . . . . 10.0 109.735 -179.382 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.132 -0.321 . . . . 10.0 110.132 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -96.39 133.93 40.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.384 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -124.94 155.99 33.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.686 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.69 113.34 24.87 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.048 0.452 . . . . 10.0 111.14 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -96.1 125.05 49.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -100.59 137.68 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.506 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -109.16 165.98 11.19 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.5 mt -73.35 -2.78 23.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 10.0 111.235 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -2.09 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 10.0 110.831 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.16 -0.36 78.44 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.951 -0.642 . . . . 10.0 112.98 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -82.67 133.27 35.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.736 -0.273 . . . . 10.0 110.499 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.39 133.7 49.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.201 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.31 126.87 75.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.45 119.8 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.833 -0.432 . . . . 10.0 109.833 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 15' ' ' LEU . 32.5 mt -116.96 135.83 53.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.12 0.486 . . . . 10.0 111.7 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -89.85 107.47 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.282 -0.872 . . . . 10.0 109.049 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -136.61 172.17 15.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.471 . . . . 10.0 111.693 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.3 mm-40 -118.25 158.04 47.5 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.58 -24.6 78.74 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 121.77 1.647 . . . . 10.0 111.315 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -4.88 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.443 -0.799 . . . . 10.0 111.962 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -71.81 145.0 48.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.62 150.89 20.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.172 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.89 -32.59 39.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.245 0.545 . . . . 10.0 110.153 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.59 -46.58 88.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.34 -0.845 . . . . 10.0 110.49 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.93 -33.23 73.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.73 -43.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.065 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -62.81 -34.44 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.151 0.5 . . . . 10.0 110.401 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.36 -40.53 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.074 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -64.62 -33.03 74.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.206 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.84 -46.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -67.17 -28.54 68.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.44 -37.78 73.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.506 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -106.22 -42.42 5.07 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -85.55 -36.72 20.28 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.662 0.615 . . . . 10.0 112.662 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.42 58.03 2.82 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.482 -0.866 . . . . 10.0 112.027 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -124.15 128.31 25.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.98 125.62 19.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.839 2.359 . . . . 10.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.12 -20.33 53.75 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.899 2.4 . . . . 10.0 112.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -72.67 -24.19 60.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.192 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -106.22 15.85 25.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.181 0.515 . . . . 10.0 110.757 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -102.37 93.55 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -96.14 96.24 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 133.46 35.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.101 0.476 . . . . 10.0 111.099 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.17 144.42 38.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.359 -0.837 . . . . 10.0 110.259 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -137.21 114.4 10.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.013 -0.736 . . . . 10.0 109.013 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.38 18.58 10.17 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.733 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.37 19.86 26.73 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.78 -0.724 . . . . 10.0 113.324 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -137.25 146.7 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.89 154.89 38.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.019 0.438 . . . . 10.0 111.484 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.47 130.91 54.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.778 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 13.4 mt-10 -83.14 145.63 29.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.816 0.341 . . . . 10.0 110.571 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.79 -34.58 78.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.357 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.67 41.03 3.05 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.858 -0.687 . . . . 10.0 113.016 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.2 mmt180 -137.12 159.3 42.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.2 -0.296 . . . . 10.0 110.2 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 174.48 6.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.0 mt -69.79 -30.27 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 10.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -24.05 62.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.799 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.67 -26.12 68.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.711 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -114.13 15.16 18.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.716 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 t30 56.74 47.69 17.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.313 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -97.43 106.1 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.658 -0.701 . . . . 10.0 109.356 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -97.33 -165.52 1.27 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.526 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 48.5 pttt -75.58 152.5 37.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 64.88 20.2 12.05 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.864 -0.607 . . . . 10.0 112.15 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -87.81 153.91 20.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.1 m -97.58 124.68 41.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.888 0.375 . . . . 10.0 111.29 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.59 130.97 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.58 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -93.79 132.69 37.93 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.381 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -119.49 114.83 22.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.038 0.447 . . . . 10.0 111.028 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' C' ' 490' ' ' THR . 72.5 t -104.33 137.54 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.642 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 14.1 mt -100.46 157.81 16.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.46 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.2 OUTLIER -128.3 144.01 51.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' C' ' 488' ' ' ILE . 62.2 mt -121.02 -174.1 2.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.569 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -113.51 -49.4 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.088 0.47 . . . . 10.0 109.851 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.8 113.24 0.38 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.598 0 CA-C-O 118.057 -1.413 . . . . 10.0 111.482 179.565 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.112 -0.329 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -113.02 146.34 39.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.815 0.34 . . . . 10.0 110.999 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -130.5 158.35 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.096 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' B' ' 66' ' ' THR . 96.6 m-85 -112.24 106.45 15.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.943 0.401 . . . . 10.0 110.742 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.423 HG21 HD12 ' B' ' 15' ' ' LEU . 94.5 t -97.44 118.26 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -102.1 135.4 43.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.817 0.341 . . . . 10.0 110.711 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -103.3 168.13 9.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.652 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.12 -22.2 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.058 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -10.56 59.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.658 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.2 62.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.202 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -91.86 125.42 36.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.632 0.254 . . . . 10.0 110.343 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -101.57 124.33 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.912 0.387 . . . . 10.0 110.239 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -107.65 126.03 64.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.366 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.87 108.84 19.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.542 HD11 HG12 ' B' ' 30' ' ' ILE . 93.8 mt -110.19 143.89 39.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.427 0.632 . . . . 10.0 112.24 -178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -92.28 117.85 30.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.748 -1.115 . . . . 10.0 109.319 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.75 173.88 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.036 0.446 . . . . 10.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.481 ' O ' HD12 ' B' ' 56' ' ' LEU . 32.5 mm-40 -129.98 154.67 81.23 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.68 -30.15 64.94 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.358 2.038 . . . . 10.0 112.575 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -2.07 51.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.18 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -75.7 135.47 40.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' B' ' 25' ' ' ASN . 0.2 OUTLIER -77.19 153.7 33.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.495 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.432 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.7 mm -58.54 -40.64 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.868 0.366 . . . . 10.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.12 -29.06 70.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.198 0.523 . . . . 10.0 110.05 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' B' ' 22' ' ' THR . 11.9 m-20 -66.01 -41.95 90.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.46 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.418 ' O ' HG13 ' B' ' 30' ' ' ILE . 20.5 t -62.62 -39.19 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.525 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.01 -42.48 98.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.379 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.32 94.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.501 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.29 -35.89 82.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.271 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.542 HG12 HD11 ' B' ' 15' ' ' LEU . 83.6 mt -72.36 -37.09 57.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.238 0.542 . . . . 10.0 109.663 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -61.25 -44.7 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.597 -0.728 . . . . 10.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -4.82 50.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.502 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -99.68 -57.85 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.582 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.28 -12.96 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.24 71.1 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.37 -0.919 . . . . 10.0 112.532 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -84.98 126.44 67.93 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.603 -0.147 . . . . 10.0 110.603 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.481 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 48.7 Cg_exo -55.2 133.49 58.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.516 2.144 . . . . 10.0 111.564 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.35 -18.56 63.42 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.82 2.347 . . . . 10.0 112.881 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -73.97 -42.33 60.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -88.46 18.52 4.47 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.348 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 70.2 mt-30 -99.79 105.04 16.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.913 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 mtt180 -104.53 100.11 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 mt -91.68 116.63 29.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.962 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -113.48 128.85 70.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.045 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -112.53 95.18 5.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.351 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.61 35.53 24.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.641 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.83 -19.51 54.31 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.106 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -86.61 114.68 23.53 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.3 130.74 42.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.1 mt -88.26 116.03 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.017 0.437 . . . . 10.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 26.2 mt-10 -85.53 132.96 34.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.189 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.64 -36.99 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 28.6 5.75 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.906 -0.664 . . . . 10.0 114.635 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 15.5 mmt180 -127.85 165.74 19.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.548 0.674 . . . . 10.0 110.274 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -103.86 168.71 8.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.763 -0.458 . . . . 10.0 109.763 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -66.56 -33.46 75.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.956 0.407 . . . . 10.0 110.453 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 p -71.23 -11.62 61.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.662 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -75.04 -27.66 60.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.802 0.335 . . . . 10.0 111.259 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.426 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.2 m-85 -107.94 14.12 25.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.64 28.88 13.16 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.068 0.855 . . . . 10.0 110.925 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' B' ' 59' ' ' TYR . 73.8 mt -78.25 120.27 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.2 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -113.29 -163.29 0.85 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.811 -0.631 . . . . 10.0 110.154 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -74.76 149.87 39.61 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.791 -0.364 . . . . 10.0 111.377 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 68.25 23.0 7.93 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.047 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.1 m -81.37 152.25 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.854 -0.424 . . . . 10.0 109.854 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.1 m -107.68 126.35 52.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.008 0.432 . . . . 10.0 111.254 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -113.68 136.12 53.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.187 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -95.48 115.42 27.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.52 -0.309 . . . . 10.0 110.284 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.18 108.79 21.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.245 0.545 . . . . 10.0 110.723 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -102.04 128.11 54.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.187 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.32 126.76 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.187 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -108.47 102.65 11.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 10.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 33.3 mt -104.54 145.44 30.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -97.59 130.34 44.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.911 0.386 . . . . 10.0 111.074 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.09 -43.72 0.39 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.05 -0.82 . . . . 10.0 111.05 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 CA-C-O 118.396 -1.225 . . . . 10.0 111.404 179.369 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.496 -0.187 . . . . 10.0 110.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.23 28.19 17.43 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.2 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 2.1 m -60.93 -51.41 69.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.432 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -70.68 -35.31 72.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.366 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.53 -45.33 93.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -68.66 -39.93 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.596 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.042 0.449 . . . . 10.0 110.457 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.23 -43.35 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.355 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.703 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -59.5 -45.8 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.123 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' C' ' 467' ' ' MET . 22.6 tp60 -63.47 -34.32 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.153 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.489 HG23 HG23 ' C' ' 490' ' ' THR . 81.6 mt -67.03 -41.96 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.073 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -62.56 -26.47 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.513 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -77.27 -23.31 51.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.43 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.47 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 20.1 mmt -88.64 -38.76 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.873 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.83 78.42 15.91 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.698 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.01 63.02 8.66 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.476 2.118 . . . . 10.0 112.469 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -169.58 24.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.703 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.83 136.19 21.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.25 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.52 121.19 9.5 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.725 2.283 . . . . 10.0 112.517 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -56.57 -37.6 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.623 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -64.22 -27.28 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.979 -0.289 . . . . 10.0 111.307 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.42 HD13 HG23 ' C' ' 498' ' ' ILE . 67.8 mt -79.43 -34.4 41.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.72 -42.94 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.35 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 11.7 mt -66.15 -25.15 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.617 -0.719 . . . . 10.0 110.693 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -69.35 -48.09 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.277 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.03 -35.8 81.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.567 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.178 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 60.6 mt-30 -85.69 -7.68 58.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 10.0 110.898 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -108.35 -55.31 2.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.019 0.437 . . . . 10.0 110.95 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 50.1 p -79.08 -45.22 20.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.21 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 65.87 44.89 2.67 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.946 0.778 . . . . 10.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 5.2 t -163.76 135.7 4.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.91 -20.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.151 0.501 . . . . 10.0 110.816 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 2.6 mp0 -86.66 11.42 12.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.127 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.474 ' CG1' HD12 ' A' ' 73' ' ' LEU . 17.1 mt -129.13 -45.1 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.518 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 51.0 m -56.54 -60.23 3.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.489 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -69.01 -31.29 70.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.235 0.54 . . . . 10.0 110.686 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.508 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 16.0 t70 -68.69 -59.34 3.18 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.731 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -55.7 -32.9 63.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.041 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 48.1 mt -61.49 -37.63 78.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.826 0.346 . . . . 10.0 110.49 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 52.1 mt -67.39 -26.77 66.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.526 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.497 ' HG3' HH22 ' A' ' 72' ' ' ARG . 6.6 mm-40 -82.86 -36.22 25.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.416 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.51 112.93 1.75 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.035 -0.602 . . . . 10.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -161.75 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 10.0 110.726 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.42 HG23 HD13 ' C' ' 475' ' ' LEU . 55.6 mt -89.5 135.15 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.84 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -80.54 111.31 16.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.286 -0.416 . . . . 10.0 110.404 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 26.2 m -70.04 160.69 79.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 10.0 110.646 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.2 97.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.611 2.207 . . . . 10.0 112.332 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -94.41 132.59 28.64 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.865 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -62.69 107.42 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.749 2.299 . . . . 10.0 111.942 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.335 -0.841 . . . . 10.0 109.47 -179.571 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -103.44 144.17 31.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.659 0.266 . . . . 10.0 111.114 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -131.95 164.83 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.784 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' THR . 53.7 m-85 -120.74 125.72 48.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.733 0.301 . . . . 10.0 110.384 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 t -104.35 119.43 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.311 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -89.4 137.72 32.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.121 -0.49 . . . . 10.0 109.791 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.418 HG22 HD23 ' A' ' 69' ' ' LEU . 46.6 p -123.2 165.18 17.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.021 0.439 . . . . 10.0 111.092 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.7 -8.85 58.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.83 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.6 14.38 21.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.12 41.83 96.84 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.101 -0.571 . . . . 10.0 112.855 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -133.04 124.97 28.64 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.802 0.334 . . . . 10.0 110.964 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -99.21 108.68 21.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.61 139.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.61 128.56 53.69 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.5 150.36 46.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.937 0.398 . . . . 10.0 111.217 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -99.6 123.7 44.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.976 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.88 -179.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.755 -0.657 . . . . 10.0 109.865 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.9 mm-40 -142.26 159.13 59.51 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.44 -27.72 69.66 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.328 2.019 . . . . 10.0 112.603 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.79 3.38 45.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.655 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -80.47 149.27 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.772 0.32 . . . . 10.0 110.586 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.08 150.47 20.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.138 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -58.32 -38.57 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.772 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.03 -38.76 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -64.93 -35.34 80.86 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.981 0.42 . . . . 10.0 109.888 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 30' ' ' ILE . 72.0 t -63.63 -42.07 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.332 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -59.27 -41.26 88.45 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.65 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.38 96.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.545 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -64.44 -35.44 80.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.403 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 71.4 mt -69.75 -38.82 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.081 0.467 . . . . 10.0 109.869 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -72.83 -25.16 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.489 0.661 . . . . 10.0 109.462 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.35 -34.37 63.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.286 -0.87 . . . . 10.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -94.33 -49.25 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.02 -45.19 10.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.14 13.8 26.05 Favored Glycine 0 C--O 1.228 -0.267 0 C-N-CA 120.374 -0.917 . . . . 10.0 112.302 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mt -90.81 123.49 64.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -57.33 141.8 94.8 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.728 2.286 . . . . 10.0 112.229 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -56.6 -23.56 49.29 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.99 2.46 . . . . 10.0 113.006 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.45 -32.54 74.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.197 0.522 . . . . 10.0 110.509 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -98.76 12.75 34.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.664 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -105.12 102.98 12.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.51 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -105.67 96.86 6.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.102 -0.703 . . . . 10.0 109.102 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 mt -82.15 116.63 21.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.213 0.53 . . . . 10.0 111.7 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.56 141.48 26.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.889 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 50' ' ' LEU . 36.4 t80 -137.97 126.61 23.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.233 -0.655 . . . . 10.0 109.233 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 15.87 7.13 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.64 0.588 . . . . 10.0 112.273 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.53 1.01 53.26 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.776 -0.726 . . . . 10.0 113.536 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -122.54 150.5 42.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.188 0.494 . . . . 10.0 110.372 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 10.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 45' ' ' PHE . 26.8 mt -92.78 154.37 18.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.148 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 30.3 mt-10 -101.35 140.38 35.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.321 -0.4 . . . . 10.0 109.926 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.37 -40.8 75.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 10.0 112.268 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.78 39.82 2.86 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.891 -0.671 . . . . 10.0 113.564 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 25.5 mmt180 -133.58 165.04 25.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.962 0.411 . . . . 10.0 110.123 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -112.33 169.69 8.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 18' ' ' GLU . 72.2 mt -65.89 -28.79 69.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.955 0.407 . . . . 10.0 110.894 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 m -70.97 -25.63 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.141 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -65.7 -27.91 68.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.955 0.407 . . . . 10.0 110.908 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.81 6.67 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.927 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 56.37 51.78 11.01 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.585 0.707 . . . . 10.0 110.343 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.2 mt -92.39 110.15 22.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.071 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -87.59 -170.39 3.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.795 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -76.78 153.66 34.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.926 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 65.53 23.61 11.81 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.163 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 m -83.94 150.53 25.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.019 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.5 m -104.59 116.72 32.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.97 0.414 . . . . 10.0 111.541 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -99.95 133.91 43.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -91.26 115.65 28.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.703 0.287 . . . . 10.0 110.904 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 HG22 ' A' ' 7' ' ' THR . 51.0 tp -93.78 101.53 13.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.13 0.491 . . . . 10.0 109.944 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.2 t -86.31 120.94 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.653 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -80.42 149.85 29.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 10.0 109.373 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' HG3' ' CG ' ' C' ' 491' ' ' ASP . 16.8 ttt180 -155.31 141.21 18.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.694 0.283 . . . . 10.0 111.289 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.406 HD11 HG12 ' C' ' 488' ' ' ILE . 0.3 OUTLIER -129.07 145.69 51.21 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.338 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -128.5 12.09 6.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.988 0.423 . . . . 10.0 110.794 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.67 16.24 7.44 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.765 -0.731 . . . . 10.0 111.681 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.776 -1.013 . . . . 10.0 111.342 -179.88 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -106.15 130.73 53.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.044 0.449 . . . . 10.0 111.74 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.5 pt -118.11 160.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.303 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -117.46 107.82 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.024 0.44 . . . . 10.0 111.354 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.4 t -94.58 115.05 32.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -99.72 116.96 33.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.153 0.502 . . . . 10.0 111.503 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.21 162.4 26.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.846 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.26 -21.5 63.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.288 . . . . 10.0 111.055 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -9.78 59.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.691 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 -10.13 61.36 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.777 -0.725 . . . . 10.0 112.29 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -68.05 135.18 51.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.822 0.344 . . . . 10.0 110.726 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -107.17 114.77 29.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.448 . . . . 10.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.65 127.6 51.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.885 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.11 129.42 36.4 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.013 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD11 HG12 ' B' ' 30' ' ' ILE . 11.8 mt -130.6 132.46 45.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.169 0.509 . . . . 10.0 111.573 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -91.68 104.27 16.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.517 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' B' ' 1' ' ' MET . 25.1 m -134.59 170.23 20.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.619 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.461 ' O ' HD12 ' B' ' 56' ' ' LEU . 13.2 mm-40 -125.92 150.68 69.74 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -47.95 -35.21 24.49 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.056 2.504 . . . . 10.0 113.915 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.9 3.02 24.15 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.883 0.697 . . . . 10.0 112.883 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -80.63 149.76 29.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.21 -0.293 . . . . 10.0 110.21 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.85 145.12 27.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.884 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.46 -39.02 66.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.832 0.348 . . . . 10.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.76 -38.94 86.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.772 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -66.27 -35.69 81.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.194 0.521 . . . . 10.0 109.656 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.479 ' O ' HG13 ' B' ' 30' ' ' ILE . 45.3 t -64.45 -46.27 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.846 -0.615 . . . . 10.0 109.596 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.57 -36.98 85.58 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.356 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -64.04 -38.53 91.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.46 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -67.0 -28.4 68.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.581 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 26' ' ' VAL . 48.7 mt -71.83 -34.33 51.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.265 0.555 . . . . 10.0 109.803 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 1.5 pt20 -69.4 -27.73 65.55 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.0 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -43.26 43.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.107 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -72.79 -50.45 24.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.676 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -91.71 -79.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.855 0.36 . . . . 10.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.39 23.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.312 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 10.9 mt -101.82 128.03 29.76 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.5 Cg_exo -57.46 139.13 89.2 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 122.508 2.139 . . . . 10.0 112.545 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 30.1 Cg_exo -61.27 -21.51 71.96 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.73 2.287 . . . . 10.0 112.497 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -9.5 58.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.82 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -117.86 16.79 14.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.63 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -125.54 123.96 40.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.964 0.412 . . . . 10.0 111.716 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -115.0 128.01 56.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.631 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -106.16 125.26 50.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.638 0.256 . . . . 10.0 111.108 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.1 mt -115.32 128.23 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.306 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -131.3 124.23 30.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.369 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.81 25.94 15.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.794 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 1.77 83.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.12 -0.562 . . . . 10.0 112.543 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -114.7 143.08 45.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.667 0.27 . . . . 10.0 110.546 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.14 137.7 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.303 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' B' ' 45' ' ' PHE . 55.0 mt -89.28 128.24 35.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.328 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -88.89 145.17 25.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.113 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -68.68 -18.5 64.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.802 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.69 23.28 31.36 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.681 -0.771 . . . . 10.0 112.445 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -130.67 169.97 14.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.134 0.492 . . . . 10.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 29.6 p -108.02 177.28 4.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.377 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD12 ' O ' ' B' ' 18' ' ' GLU . 17.0 mt -73.56 -36.34 65.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.487 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 p -72.02 -7.72 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.362 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.3 m-20 -70.78 -50.37 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.061 0.458 . . . . 10.0 110.193 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -93.41 15.13 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.692 -0.685 . . . . 10.0 111.09 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 64.12 27.71 14.09 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.384 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.2 mt -69.92 121.89 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 10.0 109.836 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -122.91 -172.65 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.109 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -66.63 158.58 29.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.589 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 61.1 16.36 7.06 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.62 -0.718 . . . . 10.0 112.652 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -91.36 135.88 33.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.098 -0.334 . . . . 10.0 110.098 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.47 117.75 30.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.153 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.0 137.14 41.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -92.38 126.01 37.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.768 0.318 . . . . 10.0 110.182 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.48 113.63 27.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.292 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -98.05 132.6 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -93.1 145.02 24.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.841 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -123.68 102.51 7.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.784 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.82 145.35 27.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -114.67 7.94 16.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.544 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 15.02 34.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.035 -0.602 . . . . 10.0 112.618 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.798 -1.001 . . . . 10.0 111.384 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 120.648 0.261 . . . . 10.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 62.03 23.28 13.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.955 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -45.07 92.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 10.0 111.302 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -62.98 -35.19 79.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.626 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.26 -38.08 60.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.023 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.57 -46.5 88.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.868 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.36 93.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.157 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 66.6 mtm -70.17 -42.06 72.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.41 79.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -58.28 -37.96 76.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.874 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' C' ' 467' ' ' MET . 21.2 tp60 -65.85 -40.11 91.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.7 -34.96 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.993 0.425 . . . . 10.0 110.115 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -63.0 -25.14 68.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.737 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.58 -18.48 48.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.676 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' C' ' 463' ' ' GLN . 36.8 mmm -92.69 -45.91 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.342 0.592 . . . . 10.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.68 88.8 35.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.314 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.98 29.75 0.5 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 123.19 2.593 . . . . 10.0 112.294 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.21 10.84 4.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.243 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.9 p -117.13 130.77 24.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 10.0 110.453 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 46.7 Cg_exo -57.33 128.19 28.56 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.331 2.021 . . . . 10.0 112.223 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -56.89 -39.26 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 10.0 111.922 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -65.46 -22.27 66.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.715 0.293 . . . . 10.0 111.453 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' C' ' 475' ' ' LEU . 23.6 mt -82.75 -35.82 26.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 19.1 t -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 10.0 109.797 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 79.7 mt -65.57 -16.87 64.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.02 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -80.61 -48.63 12.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.566 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' C' ' 480' ' ' LEU . 1.0 OUTLIER -57.22 -23.33 47.19 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.971 -0.559 . . . . 10.0 112.195 -179.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 67.4 mt-30 -79.41 -18.78 51.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 10.0 111.187 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.86 -43.08 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.493 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.6 p -81.82 -45.76 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.711 0.291 . . . . 10.0 111.224 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.43 23.12 11.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 1.3 t -155.37 124.66 6.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.89 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 22.8 m -62.63 -29.19 46.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.156 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -60.4 -35.9 76.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.611 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.406 HG12 HD11 ' A' ' 73' ' ' LEU . 6.5 mt -87.99 -35.6 8.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.739 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.431 ' O ' HG13 ' C' ' 493' ' ' ILE . 57.8 m -60.87 -52.85 63.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.747 0.308 . . . . 10.0 111.699 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -33.76 75.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.797 0.332 . . . . 10.0 110.955 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 18.5 t0 -69.32 -43.51 73.57 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -56.83 -34.17 67.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.88 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.431 HG13 ' O ' ' C' ' 489' ' ' THR . 87.7 mt -64.64 -46.01 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.757 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -35.72 66.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.638 -0.255 . . . . 10.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 12.0 mm-40 -69.48 -48.22 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.701 -0.227 . . . . 10.0 111.069 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 129.4 50.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.22 -0.991 . . . . 10.0 113.605 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -105.97 -37.5 6.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.228 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.31 136.93 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.698 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -60.67 120.15 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 25.2 m -73.55 153.47 89.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.616 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.64 110.55 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.875 2.383 . . . . 10.0 113.132 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -122.31 124.19 26.92 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.729 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -64.15 111.95 1.74 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.54 2.16 . . . . 10.0 112.116 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.936 -1.03 . . . . 10.0 109.355 -179.619 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.4 ptt? . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.035 -0.357 . . . . 10.0 110.035 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -91.61 132.01 36.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 pt -120.3 150.81 22.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.68 116.26 31.63 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.7 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 36.6 t -109.43 121.98 63.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -102.99 148.52 25.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.997 0.427 . . . . 10.0 111.39 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 p -111.94 166.03 11.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 mt -66.9 -19.19 65.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.395 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -13.79 59.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.209 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.1 15.53 38.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.403 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -102.45 130.91 49.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.632 0.253 . . . . 10.0 110.631 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -105.08 130.43 53.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.641 0.258 . . . . 10.0 110.546 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 mt -112.6 137.11 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.632 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.93 124.16 47.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.368 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.7 mt -123.93 147.57 47.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.882 0.372 . . . . 10.0 111.564 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -98.45 110.43 23.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.761 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.1 m -138.52 166.1 23.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.124 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.9 mm-40 -123.55 159.1 56.85 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.47 -29.01 38.13 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.563 2.175 . . . . 10.0 113.466 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 3.4 31.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.046 -0.525 . . . . 10.0 112.215 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -83.08 136.8 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.991 0.424 . . . . 10.0 110.193 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 149.41 26.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.55 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.39 -37.1 49.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.207 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.1 -44.04 91.93 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.944 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -64.39 -35.03 79.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 10.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 30' ' ' ILE . 42.5 t -65.04 -40.72 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 10.0 109.719 178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -59.2 -40.97 87.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.051 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.26 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.612 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.89 -36.89 84.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.494 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 26' ' ' VAL . 80.3 mt -68.68 -41.0 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.241 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.43 -33.5 74.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.785 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.55 -24.0 67.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.476 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -106.77 -45.43 4.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.61 -40.58 13.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.24 15.08 39.61 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.592 -0.814 . . . . 10.0 112.754 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -92.56 122.62 63.93 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 51.7 Cg_exo -55.51 143.39 78.35 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.855 2.37 . . . . 10.0 112.499 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.6 Cg_exo -62.65 -17.77 60.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.965 2.444 . . . . 10.0 112.497 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.76 -34.68 78.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -100.97 3.1 41.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.125 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -87.82 95.81 10.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.207 -0.452 . . . . 10.0 110.827 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -99.32 93.52 5.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.274 0.559 . . . . 10.0 109.604 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 50' ' ' LEU . 44.7 mt -80.97 125.48 30.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.446 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.27 138.93 50.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.263 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -132.19 118.57 19.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.245 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.46 19.84 10.65 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.79 -0.641 . . . . 10.0 112.412 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -10.98 55.14 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.699 -0.763 . . . . 10.0 113.027 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -110.39 151.0 28.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.85 0.325 . . . . 10.0 110.425 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.64 150.87 29.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.795 0.331 . . . . 10.0 111.258 -179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 43' ' ' LEU . 29.3 mt -100.08 138.42 37.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.633 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.72 135.77 33.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.742 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.97 -43.71 77.83 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.74 0.644 . . . . 10.0 112.74 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.5 16.98 11.49 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.867 -0.682 . . . . 10.0 114.03 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -116.15 158.51 23.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.504 0.652 . . . . 10.0 110.741 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 68.5 p -98.48 178.54 4.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.1 mt -72.4 -36.49 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.001 0.429 . . . . 10.0 109.886 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.6 m -65.86 -22.82 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.691 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -60.53 -31.68 70.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.25 14.9 21.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.812 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 61.48 28.75 18.01 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.401 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.3 mt -73.58 106.42 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.028 0.442 . . . . 10.0 110.662 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.45 -164.62 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 157.03 38.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.632 0.253 . . . . 10.0 111.4 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.58 29.49 13.08 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.58 -0.737 . . . . 10.0 111.929 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.2 m -92.13 148.09 22.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.945 0.402 . . . . 10.0 110.59 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -112.31 124.39 52.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.507 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.02 143.37 35.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.024 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.484 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 43.3 m80 -104.75 121.51 43.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.509 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.7 tp -100.31 103.64 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.076 0.465 . . . . 10.0 110.378 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.5 t -98.48 136.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.019 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.32 128.28 43.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.6 ttt180 -99.15 127.33 45.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.753 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.53 105.79 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.009 0.433 . . . . 10.0 110.833 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.479 ' CZ ' ' HG3' ' C' ' 495' ' ' GLU . 2.4 mmp_? -110.79 -7.24 14.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.41 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.02 48.2 0.96 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.98 -0.629 . . . . 10.0 111.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.727 -1.041 . . . . 10.0 111.3 179.848 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -101.49 130.99 47.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 10.0 111.124 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -118.39 158.71 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.04 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.68 110.65 17.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.154 0.502 . . . . 10.0 111.459 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -102.1 122.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.54 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 90.4 mttt -109.42 127.09 54.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.213 0.53 . . . . 10.0 111.129 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 163.04 15.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.309 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.87 -19.76 53.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.21 -6.67 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.927 0.394 . . . . 10.0 111.499 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -3.51 63.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.812 -0.708 . . . . 10.0 112.478 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 81.0 tttt -67.79 137.84 55.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.923 0.392 . . . . 10.0 111.263 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -112.77 103.81 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.991 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.98 129.64 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.915 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -102.58 123.12 45.73 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.429 HD11 HG12 ' B' ' 30' ' ' ILE . 12.3 mt -126.62 145.03 50.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.962 0.411 . . . . 10.0 111.778 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.54 114.37 26.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.579 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.1 m -135.43 -175.99 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.529 ' O ' HD12 ' B' ' 56' ' ' LEU . 20.7 mm-40 -139.97 157.49 69.28 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -52.07 -37.86 69.2 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.32 2.013 . . . . 10.0 112.992 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.8 5.15 14.34 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.94 131.26 35.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 10.0 110.11 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.8 OUTLIER -70.48 142.39 51.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.903 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 30.0 mm -54.75 -42.63 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.995 0.426 . . . . 10.0 110.505 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.95 -38.81 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.942 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -72.42 -34.21 67.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 52.5 t -62.38 -47.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.0 ptmt -71.31 -21.91 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.719 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.16 -32.98 69.6 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 67.6 mttt -67.85 -35.9 79.38 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 HD11 ' B' ' 15' ' ' LEU . 30.1 mt -71.03 -32.81 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.171 -0.922 . . . . 10.0 110.602 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.53 -12.7 55.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.029 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -99.13 -54.54 2.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.785 0.291 . . . . 10.0 111.785 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -91.52 -29.57 16.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.845 0.355 . . . . 10.0 111.096 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.94 9.65 58.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.861 -0.685 . . . . 10.0 112.636 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.43 125.92 83.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 18.2 Cg_endo -61.69 137.44 68.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.51 2.14 . . . . 10.0 112.55 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.3 Cg_exo -58.8 -28.91 88.38 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.01 2.473 . . . . 10.0 113.024 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -65.67 -29.17 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.413 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.75 17.87 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.892 0.377 . . . . 10.0 110.36 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -108.22 108.36 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.634 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -114.24 115.13 26.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.147 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.29 132.48 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.81 133.4 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.57 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.0 t80 -129.22 123.08 31.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.206 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.29 21.45 10.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.862 -0.608 . . . . 10.0 112.03 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.86 -10.04 64.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -100.91 133.37 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.516 0.198 . . . . 10.0 110.667 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -77.34 129.13 35.43 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 34.3 mt -82.09 133.1 35.26 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.065 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 44.4 mt-10 -83.43 149.65 26.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.713 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -46.02 88.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.18 51.89 4.45 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.774 -0.727 . . . . 10.0 113.675 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.497 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 27.5 mmt180 -136.94 170.21 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.952 0.376 . . . . 10.0 110.493 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.22 160.17 16.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.222 -0.444 . . . . 10.0 109.818 178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.529 HD12 ' O ' ' B' ' 18' ' ' GLU . 85.1 mt -66.05 -40.19 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.552 0.215 . . . . 10.0 111.545 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -24.22 67.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.893 0.331 . . . . 10.0 111.893 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -62.72 -39.52 94.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.873 0.368 . . . . 10.0 111.456 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -98.6 14.89 26.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.394 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 62.66 27.44 16.16 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.37 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.0 mt -77.01 119.51 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.0 0.429 . . . . 10.0 110.403 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -130.61 -163.79 1.35 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.571 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -65.94 159.1 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 65.45 4.58 2.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.467 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -84.73 134.06 34.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.731 0.301 . . . . 10.0 110.45 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.619 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.21 137.38 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.666 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -99.22 135.87 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.2 tp -111.18 115.62 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.066 0.46 . . . . 10.0 110.819 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.3 t -111.99 134.03 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 40.9 mt -84.32 164.04 19.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.118 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -142.35 105.94 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.838 0.351 . . . . 10.0 111.02 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.8 mt -106.24 144.96 32.19 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.88 31.46 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.142 0.496 . . . . 10.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.27 -21.26 47.11 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.187 -0.765 . . . . 10.0 111.187 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.142 0 CA-C-O 117.884 -1.509 . . . . 10.0 110.18 179.518 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 110.503 -0.184 . . . . 10.0 110.503 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 52.46 36.33 19.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.048 0.452 . . . . 10.0 111.33 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -49.52 75.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.796 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.84 -39.96 87.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 10.0 110.749 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 78.4 mt -63.22 -40.77 98.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -62.83 -47.16 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.477 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.27 99.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 24.7 mtm -65.16 -40.12 93.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 10.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.96 -35.68 81.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.418 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -62.21 -38.42 89.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.083 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -67.7 -36.38 80.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 36.2 mt -70.44 -35.62 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.925 0.393 . . . . 10.0 110.328 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -63.05 -25.87 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.513 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.67 -17.06 59.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.421 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.484 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 82.4 mmm -98.53 -41.37 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.106 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.447 ' O ' HG12 ' C' ' 471' ' ' VAL . 2.8 m-85 -131.95 86.34 47.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.385 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.38 40.43 0.97 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.683 2.255 . . . . 10.0 112.565 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -141.96 14.21 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 10.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.447 HG12 ' O ' ' C' ' 468' ' ' PHE . 7.4 p -113.37 131.08 23.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.5 120.58 8.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.789 2.326 . . . . 10.0 112.643 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -53.39 -40.81 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.441 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -66.54 -20.63 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.621 0.248 . . . . 10.0 111.639 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' C' ' 478' ' ' GLN . 29.1 mt -87.68 -30.69 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.85 -43.15 93.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 10.0 109.552 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.13 -23.6 67.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.457 -0.792 . . . . 10.0 110.498 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' C' ' 478' ' ' GLN . 2.1 tt0 -71.95 -54.66 9.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.754 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.52 -37.98 82.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.646 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -20.81 57.26 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.729 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -86.32 -17.66 33.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 10.0 111.062 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.93 -47.74 4.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.382 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 24.4 p -84.18 -44.82 13.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.771 0.319 . . . . 10.0 110.541 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.89 18.31 9.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.373 -0.83 . . . . 10.0 110.649 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 66.8 m -145.5 118.04 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.519 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.64 -28.59 23.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.866 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -56.82 -54.36 47.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.166 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.76 -23.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.499 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 59.7 m -70.19 -54.33 13.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.411 0.523 . . . . 10.0 112.411 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.8 m -60.22 -34.24 73.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.919 0.39 . . . . 10.0 110.503 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.472 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 29.7 t70 -73.86 -38.16 64.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.742 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -54.4 -32.77 57.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.827 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.6 mt -65.13 -44.26 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.272 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.82 -24.82 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.869 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 74' ' ' ARG . 11.5 mm-40 -75.52 -28.09 58.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.749 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 106.42 16.47 14.51 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.538 -0.839 . . . . 10.0 112.597 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -75.58 -40.92 55.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 10.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.85 123.07 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -72.05 109.2 5.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.915 0.388 . . . . 10.0 110.788 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 23.5 m -65.03 161.83 44.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.529 -0.76 . . . . 10.0 111.055 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.44 98.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.982 2.454 . . . . 10.0 112.746 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . 0.507 ' CG ' ' HD2' ' C' ' 503' ' ' PRO . 5.1 t80 -107.21 145.26 30.83 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' C' ' 502' ' ' PHE . 19.1 Cg_endo -60.1 97.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.715 2.277 . . . . 10.0 112.658 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.286 -0.864 . . . . 10.0 109.506 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.986 -0.376 . . . . 10.0 109.986 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -98.04 125.96 43.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.792 0.329 . . . . 10.0 110.856 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -117.2 153.94 18.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 66' ' ' THR . 98.5 m-85 -117.03 120.14 37.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.909 0.385 . . . . 10.0 110.58 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 33.6 t -109.64 120.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -104.84 134.3 48.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.968 0.414 . . . . 10.0 110.935 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.53 HG22 HD23 ' A' ' 69' ' ' LEU . 41.3 p -99.71 165.28 11.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 71' ' ' LEU . 9.6 mt -65.32 -13.15 57.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 10.0 110.901 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -12.39 59.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.376 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.75 11.47 57.89 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.052 -0.594 . . . . 10.0 112.571 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -95.58 139.7 31.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.586 0.231 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -110.71 108.9 18.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.081 0.467 . . . . 10.0 110.243 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -89.92 144.31 9.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.476 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -118.4 135.13 54.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.594 -0.275 . . . . 10.0 110.411 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -138.39 141.36 39.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.094 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -98.74 89.45 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.664 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' ' HG2' ' A' ' 1' ' ' MET . 6.1 m -121.38 157.49 24.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.562 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.92 154.26 37.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.19 -32.71 51.32 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.588 2.192 . . . . 10.0 113.387 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.82 0.42 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -84.23 143.97 29.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.74 148.8 26.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.46 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -57.63 -39.99 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.176 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 -36.49 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.558 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.86 -38.03 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.858 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -41.35 91.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.057 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -57.59 -41.47 81.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.004 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.8 92.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.131 0.491 . . . . 10.0 110.235 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -67.47 -32.7 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.346 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.5 -37.15 63.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.449 -0.574 . . . . 10.0 109.449 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.41 -35.49 80.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.177 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.66 -35.34 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.147 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -85.9 -53.9 4.83 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.57 -28.84 24.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.64 20.93 57.41 Favored Glycine 0 C--N 1.323 -0.186 0 C-N-CA 120.278 -0.963 . . . . 10.0 111.771 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -100.38 121.09 54.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.1 Cg_exo -57.13 141.41 94.32 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.425 2.083 . . . . 10.0 111.974 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.9 Cg_exo -55.56 -23.97 42.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.908 2.405 . . . . 10.0 111.844 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.49 -27.36 66.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.642 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.29 11.0 21.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.45 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -97.14 92.41 6.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 10.0 111.309 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -96.32 97.75 9.74 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -82.26 126.11 31.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.212 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 70' ' ' VAL . 1.4 mp -124.84 139.18 51.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.441 -0.8 . . . . 10.0 110.048 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -132.83 112.03 11.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.195 -0.669 . . . . 10.0 109.195 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.56 17.96 11.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.713 -0.676 . . . . 10.0 111.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.31 -8.35 48.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.705 -0.76 . . . . 10.0 112.883 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -107.68 138.95 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.648 -0.325 . . . . 10.0 110.661 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 149.4 38.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 10.0 110.809 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.3 mt -100.03 136.39 40.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.516 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.08 137.31 33.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.233 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.15 -42.0 84.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.275 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.8 47.2 3.75 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.727 -0.67 . . . . 10.0 112.943 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.0 mmt-85 -142.04 159.39 42.33 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 p -102.78 165.3 11.13 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.438 -0.578 . . . . 10.0 109.438 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.41 -30.82 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.154 0.502 . . . . 10.0 110.475 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -23.8 63.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.535 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.46 -27.55 68.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.951 0.405 . . . . 10.0 111.2 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -107.95 8.25 28.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.576 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.7 t30 62.15 32.45 17.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.314 -0.857 . . . . 10.0 110.978 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.8 mt -75.6 109.01 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -95.93 -174.33 3.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.228 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 63.1 pttt -71.84 155.89 39.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.76 -0.2 . . . . 10.0 110.748 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 68.88 7.53 6.24 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.8 0.688 . . . . 10.0 112.219 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 m -77.76 141.36 39.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 4.0 m -100.94 117.54 35.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.969 0.414 . . . . 10.0 110.574 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -96.11 143.74 26.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.768 -0.651 . . . . 10.0 109.833 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -99.86 129.44 45.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.659 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD23 HG22 ' A' ' 7' ' ' THR . 46.8 tp -112.21 105.39 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.976 0.417 . . . . 10.0 110.425 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 44' ' ' ILE . 54.7 t -86.64 127.84 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.07 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 8' ' ' LEU . 18.2 mt -84.44 145.36 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -141.05 150.92 43.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.0 0.429 . . . . 10.0 111.366 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.605 HD11 HG12 ' C' ' 488' ' ' ILE . 2.5 pp -154.69 167.4 30.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.511 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.52 13.81 3.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.892 0.377 . . . . 10.0 110.642 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.39 170.18 31.61 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.303 -0.719 . . . . 10.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' B' ' 59' ' ' TYR . . . . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.421 -1.211 . . . . 10.0 111.998 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 20.9 ptt? . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.259 -0.274 . . . . 10.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -108.76 144.02 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.06 0.457 . . . . 10.0 111.566 -178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 pt -124.83 162.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.571 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -120.93 106.33 11.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.109 0.48 . . . . 10.0 111.516 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.31 123.83 42.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -108.54 128.57 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.937 0.399 . . . . 10.0 111.156 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.0 p -96.86 172.35 7.93 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.196 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.69 -8.1 52.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.989 0.423 . . . . 10.0 111.055 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.88 -2.01 53.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.061 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.88 0.96 87.3 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.029 -0.605 . . . . 10.0 112.231 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.49 125.37 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.13 129.01 48.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.378 . . . . 10.0 110.803 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mp -108.63 123.76 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 128.21 36.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.237 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.64 148.96 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.699 0.285 . . . . 10.0 111.015 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -97.95 121.32 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.549 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.4 m -142.05 169.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.956 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 56' ' ' LEU . 64.7 mm-40 -128.83 160.75 61.62 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 108.525 -0.917 . . . . 10.0 108.525 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.86 -23.46 50.96 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.106 1.87 . . . . 10.0 112.57 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -91.42 7.57 40.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.588 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -78.48 136.28 37.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -84.06 147.32 27.45 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.216 178.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.607 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 51.2 mm -58.25 -40.85 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.24 -36.2 72.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.66 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.9 t30 -70.3 -36.88 74.62 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.654 -0.498 . . . . 10.0 109.654 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.4 t -64.16 -35.01 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.612 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 6.2 mmmm -61.06 -39.0 88.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.66 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.89 -35.46 78.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.486 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 29.8 mttt -65.0 -40.67 95.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.31 -38.48 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 10.0 109.536 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.84 -44.59 89.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.372 -0.831 . . . . 10.0 111.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.9 -8.74 57.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.818 0.342 . . . . 10.0 111.638 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -106.29 -48.76 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.501 -0.48 . . . . 10.0 112.102 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -102.64 -13.39 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 23.12 70.93 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.528 -0.844 . . . . 10.0 112.763 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.4 mt -87.28 131.7 43.52 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.742 -0.269 . . . . 10.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 26.8 Cg_exo -59.95 130.68 35.76 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.564 2.176 . . . . 10.0 112.24 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.5 Cg_exo -59.88 -26.58 82.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.811 2.341 . . . . 10.0 112.737 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -67.83 -31.37 71.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -101.43 15.32 29.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.198 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.573 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 66.2 mt-30 -98.88 88.41 4.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.735 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' B' ' 70' ' ' VAL . 47.8 mtt180 -97.3 98.07 9.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.078 0.466 . . . . 10.0 110.222 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.46 126.39 34.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.677 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.1 mt -118.32 127.82 75.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.311 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.3 t80 -120.94 111.24 17.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.564 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.3 29.87 18.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.976 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.35 -10.53 71.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.608 -0.806 . . . . 10.0 112.725 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -97.49 132.31 43.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.659 0.266 . . . . 10.0 110.461 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -79.71 130.65 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 37.0 mt -88.48 114.96 25.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.914 0.387 . . . . 10.0 111.017 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -81.46 151.72 27.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.879 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.27 -46.48 90.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.156 0.428 . . . . 10.0 112.156 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.24 46.73 3.26 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.156 -0.545 . . . . 10.0 112.478 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 38.1 mmt180 -137.14 160.88 37.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 41.7 p -109.2 170.23 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.245 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -69.2 -20.85 63.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.609 . . . . 10.0 109.582 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.96 -5.7 59.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.356 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.3 OUTLIER -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.232 179.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 44.5 m-85 -105.14 7.1 33.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.881 -0.599 . . . . 10.0 110.709 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 59.43 61.77 1.94 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.622 0.725 . . . . 10.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mt -97.67 118.64 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.041 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.22 178.76 5.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.9 pttp -73.22 160.61 31.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.378 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 62.12 25.0 14.94 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.818 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -92.22 150.55 20.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.405 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -93.28 119.77 32.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.73 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.99 115.88 30.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.382 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -81.63 132.35 35.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.475 -0.33 . . . . 10.0 110.721 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -112.38 112.14 23.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.557 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' B' ' 42' ' ' ARG . 33.8 t -108.98 135.25 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.96 147.27 25.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.251 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -120.46 112.81 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.31 147.79 23.43 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -86.91 69.98 10.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.149 0.499 . . . . 10.0 110.818 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.8 -56.29 0.19 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.814 -0.708 . . . . 10.0 111.85 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.646 -1.085 . . . . 10.0 111.813 179.507 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.567 0.223 . . . . 10.0 110.73 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.452 ' OD1' HD12 ' C' ' 457' ' ' LEU . 98.2 m-20 62.54 27.86 16.43 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.709 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -60.14 2.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.963 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -65.98 -31.84 72.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.295 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . 0.452 HD12 ' OD1' ' C' ' 454' ' ' ASN . 46.9 mt -65.32 -37.57 87.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -70.44 -41.28 73.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.989 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.47 98.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.374 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 54.2 mtm -67.32 -35.92 80.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.487 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.08 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.523 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -58.7 -42.01 87.63 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.365 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.284 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.427 HD11 HG12 ' C' ' 486' ' ' VAL . 87.4 mt -71.25 -36.7 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.577 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -61.39 -34.01 74.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.716 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -74.73 -31.21 61.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.931 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 45.8 mtm -77.67 -35.76 52.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.137 0.494 . . . . 10.0 111.107 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.468 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.4 m-85 -116.69 82.81 13.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.518 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -75.94 40.18 0.71 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.779 2.319 . . . . 10.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -155.63 26.09 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.154 0.502 . . . . 10.0 110.619 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.468 HG12 ' O ' ' C' ' 468' ' ' PHE . 10.6 p -128.31 134.9 26.77 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.324 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.52 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.4 Cg_exo -61.99 119.87 7.19 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.343 2.029 . . . . 10.0 111.936 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.46 -38.54 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.963 -0.562 . . . . 10.0 112.282 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -65.99 -24.48 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.647 -0.251 . . . . 10.0 111.226 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.52 HD12 ' HG2' ' C' ' 472' ' ' PRO . 36.2 mt -82.07 -35.21 28.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.69 0.281 . . . . 10.0 110.432 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.4 t -63.74 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.88 -26.91 68.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.976 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.81 -50.34 51.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.4 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.39 -35.7 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.462 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -26.47 61.29 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.371 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -85.05 -12.33 53.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.923 0.392 . . . . 10.0 110.942 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' C' ' 482' ' ' LEU . 3.6 mm? -100.91 -53.52 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.8 p -77.31 -39.55 47.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.688 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 62.64 24.03 14.3 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.838 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 t -158.85 129.31 5.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.021 0.439 . . . . 10.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.427 HG12 HD11 ' C' ' 464' ' ' ILE . 23.7 m -62.8 -17.57 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.228 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -79.41 -13.31 59.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.811 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.605 HG12 HD11 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -114.84 -39.38 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.739 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 15.6 m -55.25 -64.95 0.68 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.434 . . . . 10.0 111.857 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.42 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -56.68 -38.31 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.829 -178.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' C' ' 495' ' ' GLU . 32.8 t70 -64.4 -49.71 70.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 10.0 110.396 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . 0.494 ' ND2' HG22 ' C' ' 488' ' ' ILE . 11.1 m-80 -61.81 -38.89 89.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.642 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.23 -41.44 92.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.225 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -30.64 71.68 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.046 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 38.2 mm-40 -78.24 -46.69 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.376 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 135.37 50.73 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.605 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -84.59 -41.85 16.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.083 0.468 . . . . 10.0 110.663 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.11 139.68 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.333 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.25 116.05 23.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.26 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.22 157.28 77.99 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.12 114.48 1.92 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.629 2.219 . . . . 10.0 112.197 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -103.46 125.79 33.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.234 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.91 116.34 3.24 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.725 2.283 . . . . 10.0 112.241 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.255 1.364 0 CA-C-O 118.225 -0.893 . . . . 10.0 109.447 -179.52 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.803 0.335 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' NE2' ' HB2' ' A' ' 16' ' ' GLU . 59.8 mm-40 -98.35 136.53 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -129.61 161.76 38.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.625 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -114.05 134.47 54.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.102 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t -111.68 113.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 120.856 0.36 . . . . 10.0 110.189 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -90.79 127.48 36.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.717 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.7 p -112.5 169.92 8.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.956 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.37 -12.79 60.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.18 0.514 . . . . 10.0 110.743 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -8.38 56.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.378 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.75 6.83 82.35 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.681 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -88.8 104.86 17.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.811 0.338 . . . . 10.0 110.532 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -82.24 104.04 12.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 10.0 110.139 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.66 145.1 7.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 128.42 56.3 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -130.43 148.54 52.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.924 0.392 . . . . 10.0 111.389 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB2' ' NE2' ' A' ' 2' ' ' GLN . 22.5 tt0 -104.2 112.32 25.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.848 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.46 -169.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.652 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.6 mm-40 -143.33 156.15 60.94 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.27 -35.1 62.58 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.573 2.182 . . . . 10.0 112.743 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.47 -11.11 60.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.197 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.18 152.41 44.3 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.961 0.41 . . . . 10.0 110.516 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -99.06 146.42 26.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.102 -178.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.87 -38.98 54.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.965 0.412 . . . . 10.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' HA ' ' OD2' ' A' ' 52' ' ' ASP . 21.4 tt0 -57.92 -38.22 75.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.485 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -74.47 -33.04 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.087 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' THR . 99.6 t -64.06 -45.18 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.225 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 38' ' ' PRO . 19.7 mtmt -63.38 -34.09 76.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.516 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 109.886 178.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.22 -36.29 83.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.07 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 26' ' ' VAL . 89.4 mt -65.29 -41.09 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.17 0.51 . . . . 10.0 109.771 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -65.97 -30.0 70.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.46 -24.25 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.188 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.45 -46.2 3.9 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -81.74 -35.75 29.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.998 0.37 . . . . 10.0 111.998 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.72 -5.99 79.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.076 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.7 119.7 78.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 110.33 -0.248 . . . . 10.0 110.33 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.8 Cg_exo -55.74 143.88 78.57 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.397 2.064 . . . . 10.0 112.254 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.8 Cg_exo -59.17 -14.39 23.72 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.826 2.351 . . . . 10.0 112.665 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -43.29 99.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.39 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -94.5 4.62 53.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.383 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -88.47 105.82 17.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -107.56 101.35 10.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.6 mt -86.44 133.6 33.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.824 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.18 139.2 51.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.16 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HB3' HD21 ' A' ' 50' ' ' LEU . 64.5 t80 -133.94 120.85 20.85 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.216 -0.661 . . . . 10.0 109.216 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.01 16.93 10.28 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.749 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.0 5.53 53.24 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.636 -0.792 . . . . 10.0 113.384 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -125.57 144.84 50.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.196 0.498 . . . . 10.0 110.691 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.84 145.96 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.607 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 45' ' ' PHE . 47.1 mt -101.14 134.23 44.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.55 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.9 mt-10 -89.62 136.29 33.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.724 0.297 . . . . 10.0 110.676 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' HA ' ' A' ' 24' ' ' GLU . 1.3 m-20 -58.01 -27.87 63.92 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.36 -2.58 90.25 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 121.002 -0.618 . . . . 10.0 113.332 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 33.1 mmt180 -103.0 160.89 14.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.173 0.487 . . . . 10.0 110.234 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 55.3 p -103.8 170.12 8.11 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.895 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.5 mt -65.17 -31.22 72.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.889 0.376 . . . . 10.0 110.585 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.87 -22.32 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.926 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 55' ' ' THR . 5.8 m-20 -65.48 -33.72 76.6 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -102.34 11.37 38.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.35 38.98 25.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.015 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.5 mt -83.61 121.17 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.366 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -111.02 -169.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.744 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -70.25 154.21 42.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.909 0.385 . . . . 10.0 111.451 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 64.49 29.24 13.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.651 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 m -101.5 147.21 26.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.528 . . . . 10.0 109.573 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -104.14 128.12 51.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.192 0.52 . . . . 10.0 111.575 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.52 132.92 51.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.219 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 39.9 m80 -91.14 118.61 30.58 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.914 0.388 . . . . 10.0 110.758 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -101.72 103.92 14.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.049 0.452 . . . . 10.0 110.15 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.4 t -91.48 129.16 42.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.316 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -96.96 142.13 29.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.119 -0.491 . . . . 10.0 109.681 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.39 165.43 21.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.942 0.401 . . . . 10.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -119.73 -174.12 2.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.309 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -132.15 -46.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.316 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.87 153.46 20.3 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.419 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.252 1.257 0 CA-C-O 118.189 -1.339 . . . . 10.0 111.383 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -123.5 142.72 50.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.671 0.272 . . . . 10.0 110.896 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.7 pt -122.29 168.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.329 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -121.04 114.1 21.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.42 118.52 48.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -102.72 129.9 49.49 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.945 0.402 . . . . 10.0 111.18 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.5 p -94.92 163.48 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -13.44 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -9.99 55.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.231 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.95 20.26 26.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.735 -0.745 . . . . 10.0 113.373 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -102.89 138.81 39.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.079 0.439 . . . . 10.0 110.315 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -112.38 115.51 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.941 0.401 . . . . 10.0 110.174 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 mt -98.81 133.11 42.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.16 122.26 44.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -131.71 151.36 51.7 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.204 0.526 . . . . 10.0 112.253 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 130.82 35.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.508 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -153.46 167.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.099 0.476 . . . . 10.0 110.695 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -142.62 155.44 63.54 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 108.091 -1.077 . . . . 10.0 108.091 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 51.1 Cg_exo -53.08 -24.82 26.72 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.364 2.043 . . . . 10.0 113.226 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 4.24 45.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.317 -0.401 . . . . 10.0 112.071 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -85.33 142.12 29.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.03 0.443 . . . . 10.0 110.393 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.1 m -89.12 144.69 25.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.582 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 54' ' ' ARG . 52.2 mm -54.13 -39.0 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 120.916 0.388 . . . . 10.0 111.277 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.52 -43.91 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.673 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.81 -36.91 84.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.184 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.0 t -60.87 -44.85 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.881 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -65.92 -34.05 77.23 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.409 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.32 89.04 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 121.131 0.491 . . . . 10.0 109.793 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -64.31 -40.11 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.65 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.9 mt -67.84 -33.12 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.054 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.63 -30.81 71.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.463 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.85 -30.44 50.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.087 0.47 . . . . 10.0 110.57 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.53 -50.42 9.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.543 . . . . 10.0 112.198 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -97.41 -43.25 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.9 26.87 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.379 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.4 121.04 84.34 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.483 0.183 . . . . 10.0 110.775 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.95 150.97 60.55 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.737 2.291 . . . . 10.0 112.161 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.45 -17.53 54.19 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.155 2.57 . . . . 10.0 112.991 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.43 -27.64 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.045 0.45 . . . . 10.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -101.44 12.29 37.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.361 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -112.19 123.17 49.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.884 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -133.14 107.84 8.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -95.77 133.8 39.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.074 0.464 . . . . 10.0 112.012 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.98 123.28 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.952 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.599 ' HB3' HD21 ' B' ' 50' ' ' LEU . 65.4 t80 -111.81 113.46 25.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.157 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.46 32.21 20.3 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.945 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 8.34 69.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.839 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.421 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 41.5 mtmt -114.75 116.0 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.762 -0.257 . . . . 10.0 110.484 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.26 126.58 29.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.1 mt -84.38 127.49 34.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.915 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 83.7 mt-10 -84.88 143.43 29.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.58 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -32.52 70.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.28 20.41 33.91 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.613 -0.804 . . . . 10.0 114.084 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.497 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 14.9 mmt180 -120.02 165.7 14.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.731 0.766 . . . . 10.0 110.885 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -108.01 -177.35 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.128 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 36.4 mt -68.34 -42.18 79.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.74 0.305 . . . . 10.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m -63.86 -26.54 68.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.509 -0.314 . . . . 10.0 111.359 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.09 -37.19 79.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.123 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.25 11.89 30.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.61 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 63.07 30.1 16.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.533 0.52 . . . . 10.0 111.156 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.417 HG12 ' CD2' ' B' ' 45' ' ' PHE . 55.9 mt -74.61 118.44 20.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.475 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -128.47 178.92 5.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.297 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -68.0 172.03 6.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.736 0.303 . . . . 10.0 111.055 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 62.67 19.25 11.23 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.236 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -124.62 140.34 53.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.61 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -98.51 141.28 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.684 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.18 139.01 48.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -98.0 127.6 44.05 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.92 115.77 30.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.039 0.447 . . . . 10.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -97.95 125.84 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.693 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.32 131.31 36.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.57 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 ttt-85 -113.92 115.0 26.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.136 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -118.27 148.52 42.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -79.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.724 -0.391 . . . . 10.0 111.197 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.46 -67.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.154 -1.022 . . . . 10.0 112.632 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.441 -1.2 . . . . 10.0 111.506 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.686 0.279 . . . . 10.0 110.672 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' C' ' 458' ' ' ASN . 6.7 m-20 62.99 30.45 16.38 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 3.6 m -67.64 -48.49 66.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.995 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.46 -41.08 85.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.995 0.426 . . . . 10.0 110.232 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' C' ' 480' ' ' LEU . 53.6 mt -64.03 -43.14 96.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.793 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' C' ' 454' ' ' ASN . 1.4 t-20 -62.17 -46.38 89.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.014 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 26.6 mtm -64.77 -43.2 94.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 10.0 110.352 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.96 87.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 10.0 110.678 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -60.58 -39.19 87.15 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.421 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -66.02 -40.69 91.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.117 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.506 HD11 HG12 ' C' ' 486' ' ' VAL . 96.0 mt -68.37 -36.56 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.338 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -63.26 -22.4 66.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.156 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.68 -23.83 49.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.313 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.549 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 31.0 mmm -91.96 -39.91 11.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.982 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.579 ' O ' HG12 ' C' ' 471' ' ' VAL . 57.7 m-85 -124.73 92.3 48.04 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.881 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.6 6.18 5.62 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.702 2.268 . . . . 10.0 111.654 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -108.28 10.69 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.288 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.579 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -115.09 132.04 23.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.659 -0.246 . . . . 10.0 110.398 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' C' ' 474' ' ' HIS . 32.3 Cg_exo -60.23 125.2 16.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.459 2.106 . . . . 10.0 112.489 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.68 -40.01 62.48 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.287 0.635 . . . . 10.0 112.096 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' C' ' 472' ' ' PRO . 35.9 p-80 -65.05 -30.76 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.722 -0.217 . . . . 10.0 111.439 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.39 -34.46 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' C' ' 472' ' ' PRO . 21.9 t -64.81 -45.22 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 14.9 mt -64.78 -26.23 68.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.47 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.436 ' HA ' ' NE2' ' C' ' 481' ' ' GLN . 0.0 OUTLIER -71.26 -45.97 61.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.83 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.423 ' OD1' HG23 ' C' ' 489' ' ' THR . 13.6 t70 -66.42 -36.65 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.478 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.45 HD22 HG21 ' C' ' 489' ' ' THR . 0.3 OUTLIER -56.8 -25.99 56.88 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.31 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 47.7 mt-30 -76.26 -12.65 60.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.198 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.452 ' O ' ' HD2' ' C' ' 484' ' ' ARG . 3.2 mm? -111.61 -48.44 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.71 -0.223 . . . . 10.0 111.422 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 8.2 p -75.18 -39.46 60.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 10.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' C' ' 482' ' ' LEU . 2.1 mpt_? 63.07 24.37 14.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.101 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 9.4 t -170.9 132.9 0.89 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.765 0.317 . . . . 10.0 111.204 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.506 HG12 HD11 ' C' ' 464' ' ' ILE . 17.6 m -61.79 -21.36 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.549 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.26 -21.66 66.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.065 0.46 . . . . 10.0 110.779 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.78 -40.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.287 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.45 HG21 HD22 ' C' ' 480' ' ' LEU . 9.7 m -52.7 -56.42 15.66 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.42 -40.75 75.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.525 . . . . 10.0 112.356 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.37 -37.38 60.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.809 0.338 . . . . 10.0 110.497 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -55.56 -40.04 71.41 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.15 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 72.3 mt -65.31 -43.88 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.998 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.264 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -75.61 -8.27 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 10.0 111.151 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 90.19 21.18 39.38 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.913 -0.661 . . . . 10.0 113.545 178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -73.31 -41.13 63.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.306 0.574 . . . . 10.0 109.855 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.95 135.4 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.404 -0.816 . . . . 10.0 108.999 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -75.27 122.93 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.622 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.54 161.31 77.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.471 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.39 66.55 2.14 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.741 2.294 . . . . 10.0 112.552 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -74.2 139.0 75.4 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.604 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.48 115.25 1.83 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.018 2.479 . . . . 10.0 112.404 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.481 -0.771 . . . . 10.0 109.466 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.3 ptt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.878 0.371 . . . . 10.0 110.148 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.49 133.79 35.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.392 . . . . 10.0 110.624 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -120.31 154.15 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.936 -0.574 . . . . 10.0 109.947 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -113.12 115.21 27.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.608 -0.269 . . . . 10.0 110.936 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.91 118.61 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -101.4 133.61 45.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.734 0.302 . . . . 10.0 110.884 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.467 HG22 HD23 ' A' ' 69' ' ' LEU . 33.2 p -102.94 166.91 10.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.001 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' C' ' 463' ' ' GLN . 11.4 mt -67.08 -17.66 64.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.202 0.525 . . . . 10.0 110.871 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.72 2.51 37.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.04 37.85 48.97 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.948 -0.644 . . . . 10.0 111.519 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -115.63 132.38 56.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -104.64 108.61 20.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 10.0 110.326 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.61 129.74 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.604 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.74 126.67 52.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.16 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -126.19 148.13 49.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.836 0.351 . . . . 10.0 111.012 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -101.84 97.39 7.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.025 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HG2' ' A' ' 1' ' ' MET . 33.4 m -128.85 179.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.007 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' HD12 ' A' ' 56' ' ' LEU . 9.3 mm-40 -129.83 154.07 81.0 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.93 -16.29 25.6 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.849 2.366 . . . . 10.0 113.719 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.54 0.95 50.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -84.1 155.83 22.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.372 0.605 . . . . 10.0 111.801 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.35 146.19 24.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.261 -0.882 . . . . 10.0 110.446 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.05 -41.05 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.923 0.392 . . . . 10.0 110.669 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.45 -31.65 70.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.3 -34.15 59.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 10.0 110.285 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.36 -41.09 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.623 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HE3' ' O ' ' A' ' 41' ' ' GLN . 1.9 mmmm -60.74 -38.45 85.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.417 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.42 93.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.388 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -65.47 -37.32 86.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.847 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.1 mt -68.12 -35.4 71.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.143 0.497 . . . . 10.0 109.899 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.64 -33.68 76.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.813 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -83.37 4.79 25.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.814 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -115.62 -51.19 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.467 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -102.39 -16.38 16.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.788 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.24 5.5 82.67 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.629 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 67.3 mt -82.9 124.38 76.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 122.084 0.154 . . . . 10.0 110.635 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 36.8 Cg_exo -59.68 147.26 92.77 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.73 2.287 . . . . 10.0 111.733 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.7 Cg_exo -60.01 -23.83 74.4 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.726 2.284 . . . . 10.0 112.414 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -23.08 63.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.916 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -103.73 5.98 36.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.079 0.466 . . . . 10.0 110.908 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.437 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 77.4 mt-30 -101.73 118.42 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.401 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NE ' HD22 ' C' ' 494' ' ' LEU . 2.4 ttt180 -120.44 92.53 3.79 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.017 -0.735 . . . . 10.0 109.017 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -76.89 120.49 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.971 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.6 mp -110.98 135.7 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.786 . . . . 10.0 109.776 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.3 t80 -138.65 131.4 29.27 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 25.24 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.444 0.465 . . . . 10.0 111.806 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.14 22.09 59.74 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.775 -0.726 . . . . 10.0 112.754 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -140.76 158.1 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.637 -0.331 . . . . 10.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.22 137.87 31.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.814 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 45' ' ' PHE . 32.3 mt -91.76 152.57 20.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.43 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -96.92 150.52 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 10.0 109.966 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.8 -42.4 81.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.034 0.445 . . . . 10.0 110.546 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.73 54.6 4.97 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.749 -0.739 . . . . 10.0 112.191 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -145.37 157.3 44.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.151 -0.314 . . . . 10.0 110.151 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.75 156.37 18.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.73 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 18' ' ' GLU . 83.7 mt -61.21 -27.36 68.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.111 0.481 . . . . 10.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -26.56 64.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.788 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -69.55 -25.05 63.82 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.907 0.384 . . . . 10.0 111.216 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -105.56 5.97 31.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.909 0.385 . . . . 10.0 110.197 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 t30 56.06 44.96 24.51 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.571 -0.741 . . . . 10.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -83.93 113.56 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.093 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.52 -169.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.366 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.05 154.57 41.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.685 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 64.59 24.76 13.07 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.454 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 140.81 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -104.44 124.56 49.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.772 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -115.14 143.88 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.092 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -99.35 125.43 45.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.467 HD23 HG22 ' A' ' 7' ' ' THR . 59.0 tp -96.46 92.39 6.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.083 0.468 . . . . 10.0 110.525 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 54.2 t -78.79 122.81 34.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.357 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.88 131.43 36.42 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.501 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 3.3 ttt180 -125.89 143.65 50.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 10.0 110.839 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 mt -136.55 158.93 43.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.893 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -119.32 26.73 9.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.408 0.623 . . . . 10.0 109.832 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.72 -140.31 4.21 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.265 -0.879 . . . . 10.0 111.21 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.914 -0.937 . . . . 10.0 111.706 179.56 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.172 -0.307 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -108.41 143.04 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.094 0.473 . . . . 10.0 111.345 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -128.47 165.49 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.302 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' B' ' 66' ' ' THR . 49.2 m-85 -119.98 120.24 35.77 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 10.0 111.001 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.31 118.49 52.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.7 -0.481 . . . . 10.0 109.7 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -103.01 126.98 50.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.975 0.416 . . . . 10.0 111.326 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.557 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -92.31 169.07 10.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.667 179.431 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.57 -22.35 66.28 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.833 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.18 4.96 32.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.856 0.36 . . . . 10.0 111.466 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.43 44.65 32.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.936 -0.65 . . . . 10.0 112.335 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.557 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 65.6 tttt -115.67 120.78 40.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -95.82 105.35 17.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.023 0.439 . . . . 10.0 111.058 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.43 132.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.288 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.8 114.12 26.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.052 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -122.4 148.19 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.045 0.45 . . . . 10.0 111.909 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.8 126.81 41.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 10.0 109.653 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 m -142.36 -177.65 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.773 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 14.9 mm-40 -147.26 162.81 31.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.25 -33.51 75.77 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.577 2.185 . . . . 10.0 112.286 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 13.49 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 10.0 112.081 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 1.5 t0 -85.79 134.31 33.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 147.05 26.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.662 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 48.4 mm -58.31 -39.89 75.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 10.0 110.369 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.0 -33.96 74.06 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.679 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.2 t30 -69.89 -37.49 76.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.883 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.5 -36.87 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.038 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 5.2 mmmm -58.27 -37.29 74.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.298 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.26 -33.38 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 74.6 mttt -65.19 -42.26 93.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 10.0 109.82 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.81 -34.47 70.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.613 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 64.0 tt0 -68.85 -32.86 72.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.46 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.62 -27.3 63.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 10.0 110.29 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -87.27 -63.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.908 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -85.44 -36.52 20.57 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.57 15.03 48.28 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.288 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.82 128.07 57.63 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.686 -0.257 . . . . 10.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.6 Cg_exo -54.46 139.82 74.56 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.925 2.417 . . . . 10.0 112.46 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.5 Cg_exo -60.22 -20.86 64.01 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.875 2.383 . . . . 10.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -18.74 61.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.963 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 48.1 mt-30 -108.41 10.18 27.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.13 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -102.6 113.52 26.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.267 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -115.32 100.37 8.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 mt -88.66 123.0 32.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 10.0 111.602 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 69.5 mt -121.27 127.02 75.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.315 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -119.48 115.04 23.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.635 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.7 27.7 14.73 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.66 -6.94 65.3 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 120.695 -0.764 . . . . 10.0 112.99 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -103.32 125.74 50.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.835 0.318 . . . . 10.0 110.66 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.91 122.62 25.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.423 HD13 HD12 ' B' ' 23' ' ' ILE . 46.4 mt -71.32 139.77 50.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.041 -0.527 . . . . 10.0 112.121 -178.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -94.04 135.35 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.429 -0.805 . . . . 10.0 108.891 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.41 -25.66 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.85 30.67 6.41 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.925 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -134.26 166.61 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.987 0.422 . . . . 10.0 110.97 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 13.4 p -109.7 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.951 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.446 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.4 mt -67.27 -36.89 82.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.562 0.22 . . . . 10.0 111.263 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.6 m -64.53 -24.91 67.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.471 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -65.49 -26.1 67.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.96 0.409 . . . . 10.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 94.3 m-85 -108.18 5.97 26.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.376 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 61.66 33.91 17.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.496 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' B' ' 59' ' ' TYR . 96.8 mt -78.51 115.24 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.62 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -99.19 -171.25 2.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.965 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -72.06 162.65 29.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.585 0.231 . . . . 10.0 110.88 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 63.38 20.98 12.57 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.922 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.3 m -83.26 144.63 29.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.623 0.249 . . . . 10.0 110.364 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 24.4 m -105.63 120.51 41.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.067 0.46 . . . . 10.0 110.791 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -106.69 135.15 48.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.14 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -93.09 120.01 32.93 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.75 106.85 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.039 0.447 . . . . 10.0 110.973 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -91.83 130.95 40.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.474 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 69.8 mt -88.44 120.88 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.489 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 38.0 ttt180 -90.26 129.96 36.44 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.32 147.28 23.06 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.968 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.51 106.77 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.255 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.29 -34.49 0.6 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.773 -0.931 . . . . 10.0 110.773 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-O 119.107 -0.829 . . . . 10.0 111.056 179.376 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' C' ' 454' ' ' ASN . 4.9 p . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.475 0.178 . . . . 10.0 110.961 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' C' ' 453' ' ' SER . 5.3 m-20 73.55 17.73 3.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.035 0.534 . . . . 10.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -48.72 77.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.066 0.46 . . . . 10.0 111.58 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -71.47 -38.94 71.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.57 -37.4 86.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.637 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -67.0 -43.49 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.378 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.9 88.48 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.748 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.63 -38.79 77.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.659 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.63 95.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.653 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -56.29 -38.56 71.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.719 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 25.5 tp60 -63.13 -37.12 85.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.03 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.5 -36.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.368 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -65.11 -22.28 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.621 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.66 -12.73 60.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.897 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 38.7 mtm -107.19 -47.89 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.461 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.441 ' O ' HG12 ' C' ' 471' ' ' VAL . 4.1 m-85 -117.33 100.92 53.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.389 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.01 -0.5 9.61 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.583 2.189 . . . . 10.0 112.733 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -100.95 31.46 3.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.729 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.441 HG12 ' O ' ' C' ' 468' ' ' PHE . 12.5 p -133.77 132.37 21.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.3 126.45 20.12 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.389 2.06 . . . . 10.0 111.925 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -56.93 -38.52 72.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.939 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.44 -29.81 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.483 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -75.55 -35.31 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 10.0 110.022 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.37 -40.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.409 0.623 . . . . 10.0 109.343 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.39 -20.07 65.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.988 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -49.96 16.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.441 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.44 -36.27 83.18 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.666 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -26.82 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -91.15 -2.12 57.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -110.21 -51.34 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.295 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 62.0 p -89.68 -39.17 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.707 0.289 . . . . 10.0 111.144 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 62.82 32.1 16.08 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.604 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 26.0 t -150.94 115.51 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.315 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -60.77 -28.89 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.769 0.319 . . . . 10.0 111.457 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.52 -15.09 62.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.722 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.476 ' O ' ' HB2' ' C' ' 492' ' ' ASN . 48.1 mt -107.94 -40.01 4.65 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.171 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -56.23 -58.06 9.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.68 -38.76 82.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.343 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.501 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 16.1 t0 -67.42 -48.27 67.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' C' ' 488' ' ' ILE . 37.3 t30 -52.33 -44.31 65.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.953 -1.022 . . . . 10.0 110.472 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.58 -43.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.28 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.423 HD22 ' NE ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -64.41 -27.72 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.314 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' C' ' 491' ' ' ASP . 9.3 mm-40 -76.09 -13.19 60.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.683 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.79 27.9 11.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.71 -0.757 . . . . 10.0 112.84 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -81.16 -35.53 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.163 0.506 . . . . 10.0 110.162 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.85 131.25 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.3 106.86 3.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.721 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.14 156.01 89.03 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.12 109.79 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.67 2.246 . . . . 10.0 112.168 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -115.34 121.12 35.31 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.28 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -70.37 97.65 0.7 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.451 2.101 . . . . 10.0 112.091 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.253 1.274 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.895 -179.856 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.859 -0.423 . . . . 10.0 109.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -116.05 138.99 50.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.262 -0.274 . . . . 10.0 110.262 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' THR . 36.6 pt -127.03 159.69 36.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 66' ' ' THR . 87.2 m-85 -114.42 120.63 40.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.935 0.398 . . . . 10.0 110.513 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.04 126.32 52.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.189 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.81 121.22 41.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.197 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -100.3 162.21 13.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.237 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -70.02 -13.77 62.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.874 0.369 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -10.37 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.929 0.395 . . . . 10.0 111.114 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.74 7.67 61.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 10.0 112.805 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -91.97 128.59 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.682 0.277 . . . . 10.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -102.69 130.81 49.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -119.51 130.19 74.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.871 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 2.8 m -96.28 105.96 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.276 -0.638 . . . . 10.0 109.276 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.28 140.53 30.82 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.662 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.23 107.0 18.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.105 -1.072 . . . . 10.0 108.105 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.65 -178.45 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.874 0.369 . . . . 10.0 111.137 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.5 mm-40 -143.3 158.61 57.64 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.71 -35.64 48.36 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.473 2.115 . . . . 10.0 113.11 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -78.6 1.0 24.12 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -79.64 132.89 36.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -82.01 145.4 30.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.291 -179.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.0 mm -56.49 -34.98 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 10.0 109.888 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.97 -31.28 71.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.773 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.84 -37.11 21.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 10.0 109.981 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 22' ' ' THR . 58.4 t -59.33 -45.94 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.323 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -68.76 -24.65 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.563 . . . . 10.0 109.774 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.83 61.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.291 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.65 -36.98 85.26 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mt -70.04 -30.6 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.539 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.503 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 39.1 tt0 -68.3 -30.13 69.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.331 -0.85 . . . . 10.0 110.088 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -78.07 -37.45 46.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.135 0.493 . . . . 10.0 110.87 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.03 -70.18 0.54 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.856 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -72.49 -36.7 68.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.6 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 92.05 32.86 8.1 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.517 -0.849 . . . . 10.0 112.134 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.0 mt -100.39 126.73 35.03 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.377 -0.231 . . . . 10.0 110.377 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.16 141.26 80.54 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.898 2.398 . . . . 10.0 112.076 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.06 -28.91 65.74 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.723 2.282 . . . . 10.0 112.276 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.24 -20.92 64.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.151 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -106.92 12.66 28.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.061 0.458 . . . . 10.0 110.622 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -109.07 103.83 12.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.504 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -103.63 102.79 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.99 126.29 34.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.388 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.71 139.4 48.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.515 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' A' ' 50' ' ' LEU . 46.8 t80 -137.98 124.72 21.05 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.214 -0.661 . . . . 10.0 109.214 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.67 21.1 11.05 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.955 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 1.41 64.01 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.145 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -120.28 151.21 39.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.64 -0.329 . . . . 10.0 110.752 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.85 151.82 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 10.0 110.742 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 45' ' ' PHE . 40.8 mt -101.56 146.56 27.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.662 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -93.81 144.11 25.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.585 -0.279 . . . . 10.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.83 -47.13 85.9 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.53 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.194 -0.526 . . . . 10.0 113.01 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.3 mmt-85 -140.15 153.73 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -101.63 167.39 10.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.807 0.337 . . . . 10.0 110.37 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 18' ' ' GLU . 56.3 mt -66.12 -31.56 72.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.279 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -21.76 64.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.255 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.22 -29.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 10.0 110.934 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -104.29 12.26 33.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.426 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 62.91 29.43 16.53 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.213 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -74.86 125.13 33.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.981 0.42 . . . . 10.0 110.231 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.87 -166.96 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.538 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -72.43 148.58 45.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.94 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.76 22.95 11.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.806 -0.634 . . . . 10.0 112.214 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.8 m -82.41 142.4 31.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.932 -0.396 . . . . 10.0 109.932 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -97.65 120.79 38.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.135 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -105.5 130.65 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 38.6 m80 -92.24 125.06 36.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.964 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.5 tp -103.46 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.945 0.402 . . . . 10.0 110.35 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.26 131.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.155 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -89.03 148.0 23.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.716 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -146.18 145.51 30.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.712 HD11 HG12 ' C' ' 488' ' ' ILE . 0.3 OUTLIER -135.72 148.51 48.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 10.0 110.968 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 120.93 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.12 2.66 74.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.63 -0.795 . . . . 10.0 111.542 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.934 0 N-CA-C 110.722 -0.951 . . . . 10.0 110.722 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -115.39 138.39 51.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.927 0.394 . . . . 10.0 110.881 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -124.28 161.9 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.139 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -122.32 118.56 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.53 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.33 124.0 64.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 20.5 mtpp -105.49 131.62 52.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.007 0.432 . . . . 10.0 110.943 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -88.9 165.19 14.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.598 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.35 -21.84 65.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.866 0.365 . . . . 10.0 110.968 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -21.6 61.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.817 -0.628 . . . . 10.0 111.446 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.47 4.13 34.94 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 87.1 tttt -84.68 142.91 29.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.1 m -117.77 114.12 22.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.764 0.316 . . . . 10.0 110.307 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.12 135.47 40.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.109 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.44 130.33 38.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 10.0 109.988 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.47 HD11 HG12 ' B' ' 30' ' ' ILE . 87.0 mt -124.8 145.06 49.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.05 0.453 . . . . 10.0 111.09 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -97.69 110.12 22.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.649 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.87 177.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.903 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.527 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -139.05 160.46 62.54 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.06 -35.32 90.07 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.578 2.185 . . . . 10.0 113.312 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.74 7.42 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.193 -0.458 . . . . 10.0 112.176 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.39 163.04 28.25 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.082 0.468 . . . . 10.0 110.599 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.435 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -107.99 143.69 36.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.083 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.4 -42.43 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.595 0.236 . . . . 10.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.99 -39.6 82.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.695 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -65.55 -37.18 85.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.301 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 22' ' ' THR . 47.3 t -65.06 -39.42 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.044 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.47 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 1.9 mmmm -60.47 -39.58 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.892 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.52 87.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 10.0 110.638 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -65.93 -34.01 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.228 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.47 HG12 HD11 ' B' ' 15' ' ' LEU . 64.6 mt -71.71 -36.24 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -70.77 -28.73 64.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.041 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.71 -25.56 61.27 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.936 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -102.15 -60.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.88 -38.09 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 10.0 111.788 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.17 39.38 6.08 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.133 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mt -108.85 127.7 26.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 110.408 -0.219 . . . . 10.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.4 Cg_exo -52.79 136.57 59.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.863 2.376 . . . . 10.0 112.275 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.3 Cg_exo -59.83 -22.81 69.86 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.569 2.179 . . . . 10.0 112.437 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.63 -21.66 55.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.707 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -98.72 -8.62 25.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.96 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 73.5 mt-30 -86.33 111.47 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 10.0 112.074 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -111.78 92.17 3.93 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.5 mt -80.46 118.54 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.177 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -118.14 126.96 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.105 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -117.76 110.09 17.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.644 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.32 30.01 19.47 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.248 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.33 -17.18 59.46 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.186 -0.53 . . . . 10.0 112.625 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -90.41 125.0 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 10.0 110.847 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.97 136.05 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.48 129.54 41.21 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.347 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.7 mt-10 -89.07 145.49 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.3 -41.13 83.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.29 42.35 3.08 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.887 -0.673 . . . . 10.0 113.347 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.2 mmt180 -137.15 159.97 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.2 p -101.95 168.71 9.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.2 mt -67.56 -32.72 73.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 10.0 110.672 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.87 -13.32 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.261 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.2 m-20 -67.54 -31.66 71.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.854 0.359 . . . . 10.0 111.112 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 85.3 m-85 -104.93 13.7 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.142 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 55.1 t30 62.68 30.39 16.88 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.831 0.707 . . . . 10.0 110.776 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 71.8 mt -77.47 123.22 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.75 -172.05 1.99 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -69.85 163.71 25.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.459 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 54.49 55.68 7.75 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.2 m -121.75 140.19 52.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.458 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -102.74 131.28 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.935 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.6 mp -116.45 156.68 26.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.318 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -115.3 136.62 52.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.21 106.72 16.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.058 0.456 . . . . 10.0 111.138 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.97 124.27 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.471 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.4 mt -81.56 116.39 21.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.815 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -94.76 101.85 13.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.42 105.05 17.31 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.247 -0.433 . . . . 10.0 109.916 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -71.86 152.33 42.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.79 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.35 -53.83 0.43 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.7 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.981 -0.9 . . . . 10.0 111.517 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.339 -0.245 . . . . 10.0 110.339 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.76 31.18 9.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.228 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -35.55 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.229 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.25 -40.44 93.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.396 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 53.3 mt -72.9 -31.97 65.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -59.79 -53.7 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.566 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.6 80.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 9.8 ttm -65.64 -38.44 89.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.19 81.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -61.17 -35.27 76.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.286 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' C' ' 467' ' ' MET . 20.1 tp60 -62.08 -43.21 99.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.94 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.51 -36.34 65.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.407 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -61.36 -28.08 68.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.512 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -74.67 -30.28 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.58 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.508 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 24.7 mmm -79.96 -43.42 22.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.812 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.469 ' O ' HG12 ' C' ' 471' ' ' VAL . 43.0 m-85 -123.2 96.55 44.27 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.15 12.79 2.84 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.38 2.054 . . . . 10.0 112.403 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -114.52 19.16 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.423 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.469 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.6 p -123.57 135.33 26.01 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' C' ' 471' ' ' VAL . 36.9 Cg_exo -62.9 127.8 21.39 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.42 2.08 . . . . 10.0 112.345 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.01 -43.79 63.82 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.488 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -63.8 -30.46 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.436 HD13 HG23 ' C' ' 498' ' ' ILE . 22.5 mt -73.33 -34.6 65.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.2 -43.41 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.52 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' C' ' 481' ' ' GLN . 72.3 mt -62.24 -25.72 67.98 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.779 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -72.72 -47.61 45.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.8 t70 -63.13 -35.49 80.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.497 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.31 -19.92 62.34 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.297 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' C' ' 477' ' ' LEU . 54.8 mt-30 -86.79 -21.88 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.144 0.497 . . . . 10.0 110.404 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.32 -55.17 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.683 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 56.7 p -83.63 -44.98 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.204 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 66.96 23.15 9.91 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.724 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 15.2 m -147.43 124.7 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.55 -23.67 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.009 0.433 . . . . 10.0 111.469 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -67.02 -16.06 64.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.131 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.712 HG12 HD11 ' A' ' 73' ' ' LEU . 2.8 mt -111.07 -39.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.663 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.423 HG23 ' HB3' ' C' ' 479' ' ' ASP . 26.2 m -58.37 -52.92 63.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.263 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.1 m -59.7 -39.51 84.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.942 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.07 -33.98 68.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.913 0.387 . . . . 10.0 110.353 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.56 -36.61 71.89 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 52.2 mt -70.48 -40.25 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.24 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.64 -42.58 82.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.346 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -66.45 -29.98 70.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 106.84 30.02 4.42 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.162 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -77.96 -41.14 37.12 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.436 HG23 HD13 ' C' ' 475' ' ' LEU . 1.7 mp -82.33 136.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.847 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -72.94 107.6 5.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.015 0.436 . . . . 10.0 110.983 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 28.7 m -69.29 160.51 78.62 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.502 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.85 97.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.481 2.121 . . . . 10.0 112.095 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -103.75 121.81 46.84 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.829 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.63 123.24 12.32 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.305 2.003 . . . . 10.0 112.2 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.155 -0.926 . . . . 10.0 110.172 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -113.48 141.53 47.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 10.0 111.379 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -125.93 160.08 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.755 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -117.29 104.05 10.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.974 0.416 . . . . 10.0 110.994 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.25 134.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.755 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -116.86 135.83 53.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.922 0.392 . . . . 10.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.0 164.74 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.255 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.0 mt -62.41 -21.31 65.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.909 0.385 . . . . 10.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -5.95 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.246 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.91 1.75 70.01 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.405 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -75.0 138.65 42.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 10.0 111.022 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -108.89 126.29 52.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.953 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 mt -116.47 119.2 61.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.987 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.04 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.3 mt -146.57 140.45 26.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.853 0.359 . . . . 10.0 110.969 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.08 120.68 27.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.849 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.62 176.24 8.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' H ' ' HB2' ' A' ' 21' ' ' ASP . 5.7 mm-40 -138.49 162.13 55.02 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.91 -28.47 77.73 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.388 2.059 . . . . 10.0 112.616 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 5.98 47.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.761 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 16.6 t0 -74.21 143.64 45.07 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.876 0.37 . . . . 10.0 110.223 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.731 ' HB ' ' OE1' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -91.27 149.08 21.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.887 -179.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.0 -40.38 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.477 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.731 ' OE1' ' HB ' ' A' ' 22' ' ' THR . 8.9 pm0 -64.82 -32.15 73.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 110.089 -0.338 . . . . 10.0 110.089 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 65.2 t30 -69.01 -38.04 79.02 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' THR . 57.6 t -63.62 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -59.48 -42.7 92.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 10.0 109.582 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.52 -38.49 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.827 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.52 -40.85 92.96 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.02 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.0 mt -73.95 -37.07 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 10.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.34 -37.1 84.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.75 -24.15 31.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 10.0 111.293 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -82.94 -49.58 9.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.637 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.3 -38.81 9.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.672 0.249 . . . . 10.0 111.672 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.81 13.4 22.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.5 -0.857 . . . . 10.0 112.349 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.91 122.94 66.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.475 -0.194 . . . . 10.0 110.475 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.0 Cg_exo -57.42 137.74 82.93 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.878 2.385 . . . . 10.0 112.364 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.1 Cg_exo -59.68 -25.91 80.5 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.076 2.517 . . . . 10.0 112.291 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.32 -22.27 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.504 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -109.17 10.05 25.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.079 0.466 . . . . 10.0 110.433 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -98.53 97.43 8.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -99.28 95.31 6.97 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.797 -0.816 . . . . 10.0 108.797 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.68 121.26 27.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.65 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG21 ' CE2' ' C' ' 468' ' ' PHE . 3.5 mp -132.53 127.3 56.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -122.57 115.6 22.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.313 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.42 37.12 27.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 10.0 112.089 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.93 -14.64 63.78 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.93 -0.652 . . . . 10.0 113.923 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -101.88 127.78 48.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.104 0.452 . . . . 10.0 111.037 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -81.49 142.66 32.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.47 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.56 116.69 27.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.705 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 138.63 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.514 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.78 -8.76 54.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.71 11.51 61.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.515 -0.85 . . . . 10.0 112.731 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -124.23 178.01 5.56 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 122.513 -0.404 . . . . 10.0 110.896 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.0 p -115.95 175.83 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.48 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 18' ' ' GLU . 86.3 mt -67.98 -28.14 67.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.875 0.369 . . . . 10.0 110.806 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.8 m -71.22 -22.71 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.29 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.02 -26.2 63.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.033 0.444 . . . . 10.0 111.301 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -105.25 8.14 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.942 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 60.84 37.5 18.55 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.65 0.594 . . . . 10.0 110.889 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.0 mt -85.08 116.7 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -101.38 -160.44 0.79 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.803 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -80.54 155.79 26.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.335 -0.616 . . . . 10.0 109.335 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.47 16.76 10.02 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.343 0.402 . . . . 10.0 111.878 179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 m -85.81 150.49 24.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.686 0.279 . . . . 10.0 110.499 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -97.33 136.32 37.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -121.51 106.36 11.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.842 -0.799 . . . . 10.0 108.842 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CB ' ' HB3' ' C' ' 467' ' ' MET . 43.9 m80 -83.56 130.11 34.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.054 0.454 . . . . 10.0 110.967 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.3 tp -109.33 125.96 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.539 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.39 136.73 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.618 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.23 145.76 27.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.302 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HB2' ' OD1' ' C' ' 491' ' ' ASP . 0.4 OUTLIER -114.12 137.66 51.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.899 0.381 . . . . 10.0 110.606 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD12 HG13 ' C' ' 488' ' ' ILE . 18.3 mt -97.77 150.61 21.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.714 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -108.14 14.51 25.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.122 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.21 -162.41 35.64 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.483 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.228 -1.318 . . . . 10.0 111.563 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.411 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.4 ptt? . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -105.19 134.92 47.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.124 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -123.05 160.59 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.953 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -121.95 126.53 48.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.521 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.4 t -111.13 119.51 59.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -101.74 119.66 39.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.984 0.421 . . . . 10.0 110.795 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.411 HG22 HD23 ' B' ' 69' ' ' LEU . 26.5 p -85.88 170.94 11.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.737 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.525 HD11 HG13 ' B' ' 70' ' ' VAL . 71.7 mt -74.42 -10.09 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.503 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.11 0.29 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.14 36.75 26.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.1 -0.572 . . . . 10.0 111.985 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -122.45 133.43 54.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -107.67 112.06 24.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.417 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.99 140.17 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.565 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -103.58 127.16 51.05 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 30' ' ' ILE . 43.1 mt -130.7 146.02 52.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.872 0.368 . . . . 10.0 111.644 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -96.27 117.39 30.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.114 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 m -139.21 173.94 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.939 0.4 . . . . 10.0 110.904 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -131.23 158.8 74.21 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.534 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.93 -33.14 81.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.361 2.041 . . . . 10.0 112.673 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -91.44 19.82 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 10.0 112.053 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.95 140.56 29.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.7 OUTLIER -82.49 148.38 28.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.178 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.9 mm -61.12 -36.95 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.223 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.11 -40.56 90.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 10.0 109.976 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.1 t30 -66.95 -36.0 81.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.871 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 22' ' ' THR . 87.4 t -62.98 -42.06 95.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -61.96 -37.77 85.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.816 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.27 73.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.755 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 97.1 mttt -72.62 -35.79 67.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.863 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.44 HG12 HD11 ' B' ' 15' ' ' LEU . 62.3 mt -72.04 -39.11 65.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 178.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.437 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 54.7 tt0 -63.03 -32.71 74.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -73.46 -25.81 60.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.822 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -97.07 -44.07 7.14 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.61 0.596 . . . . 10.0 112.61 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.6 -26.45 18.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.72 9.44 82.99 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.178 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.2 mt -91.5 124.7 60.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 122.084 0.154 . . . . 10.0 110.683 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.8 Cg_exo -54.75 142.13 74.45 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.003 2.468 . . . . 10.0 112.615 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 38.5 Cg_exo -59.93 -27.97 86.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.957 2.438 . . . . 10.0 112.762 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -65.81 -18.15 65.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -110.49 8.99 23.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.72 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.67 104.66 16.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.37 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -99.37 99.57 10.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.0 mt -90.23 119.76 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.77 127.26 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.184 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -119.81 108.43 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.464 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.16 32.73 22.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.366 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.97 -19.45 54.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.875 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -85.26 130.98 34.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.607 0.242 . . . . 10.0 110.651 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -86.32 132.01 34.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.92 -0.77 . . . . 10.0 108.92 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.55 139.25 30.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.841 0.353 . . . . 10.0 111.782 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -95.81 155.92 16.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.56 -42.22 82.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.82 46.81 3.68 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.91 -0.662 . . . . 10.0 113.21 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -140.11 170.24 16.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.65 160.44 17.24 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.7 -37.02 84.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.132 0.492 . . . . 10.0 111.171 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 p -68.71 -26.27 65.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.333 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -25.51 66.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.478 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -103.1 17.45 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.713 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 61.11 31.88 19.69 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.464 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.1 mt -88.96 136.07 24.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.79 0.329 . . . . 10.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.12 -168.92 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -70.71 162.92 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 57.4 mt-10 67.98 7.37 5.76 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.611 0.569 . . . . 10.0 111.633 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.3 m -100.42 133.21 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.886 0.374 . . . . 10.0 110.775 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.5 m -100.52 134.93 42.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.091 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -109.14 146.76 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.803 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -98.77 133.26 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 HG22 ' B' ' 7' ' ' THR . 47.5 tp -116.5 113.61 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.12 0.486 . . . . 10.0 111.138 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.525 HG13 HD11 ' B' ' 8' ' ' LEU . 69.5 t -103.46 140.41 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.809 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.37 132.68 36.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.748 0.308 . . . . 10.0 110.453 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -116.02 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.591 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -94.11 149.89 20.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 66.17 -165.2 0.23 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.726 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.24 32.87 24.57 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.338 -0.934 . . . . 10.0 111.791 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.513 -1.16 . . . . 10.0 111.139 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.518 0.199 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 56.01 29.05 13.71 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.732 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 1.9 m -64.94 -33.54 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.372 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -68.75 -35.1 76.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 10.0 110.103 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 69.0 mt -73.47 -40.81 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.847 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -60.24 -47.09 87.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.03 -37.58 83.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.59 -42.74 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.723 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -37.08 86.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.717 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -57.13 -39.0 74.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.738 -0.664 . . . . 10.0 111.173 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -71.73 -39.89 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.494 HD11 HG12 ' C' ' 486' ' ' VAL . 91.8 mt -63.8 -31.49 53.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.35 -13.55 40.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.947 -0.57 . . . . 10.0 111.587 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -78.61 -53.81 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.491 0.186 . . . . 10.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.477 ' HB3' ' CB ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -70.49 -30.75 67.61 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.001 0.429 . . . . 10.0 110.341 179.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.506 ' O ' HG12 ' C' ' 471' ' ' VAL . 9.3 m-85 -125.93 78.38 69.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.916 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -84.72 9.95 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.365 2.043 . . . . 10.0 112.164 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -107.74 9.72 29.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.258 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.506 HG12 ' O ' ' C' ' 468' ' ' PHE . 11.8 p -114.68 133.03 22.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.587 -0.278 . . . . 10.0 110.657 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -56.68 126.85 23.61 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.732 2.288 . . . . 10.0 112.241 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.44 -41.76 69.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.554 -0.748 . . . . 10.0 112.406 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -63.44 -28.07 69.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.633 0.254 . . . . 10.0 111.597 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 41.6 mt -79.02 -35.0 43.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.97 -42.18 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.21 -27.46 69.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.778 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.47 -49.13 64.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.33 -38.43 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 10.0 110.49 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.08 -27.77 63.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.426 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -86.05 -3.98 59.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.266 . . . . 10.0 111.231 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -112.2 -52.82 2.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -79.39 -40.55 29.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.354 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 63.13 37.23 11.58 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.422 -0.808 . . . . 10.0 111.17 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 2.6 t -160.49 129.35 4.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 10.0 110.858 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.494 HG12 HD11 ' C' ' 464' ' ' ILE . 3.1 m -67.49 -27.93 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.928 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -76.8 5.14 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.483 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 73' ' ' LEU . 29.0 mt -122.61 -42.64 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.416 HG23 HG23 ' C' ' 464' ' ' ILE . 0.2 OUTLIER -75.24 -8.07 55.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 10.0 111.594 -179.229 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.532 ' OD1' ' HB2' ' A' ' 72' ' ' ARG . 18.9 t70 -95.12 -61.05 1.55 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.33 -26.27 64.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.886 -0.597 . . . . 10.0 111.907 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.447 HD12 HD12 ' C' ' 498' ' ' ILE . 8.1 tt -65.96 -20.35 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.61 0.243 . . . . 10.0 111.267 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -21.09 60.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.974 0.416 . . . . 10.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -108.86 -36.43 6.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.649 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 150.38 116.42 0.77 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.071 -1.062 . . . . 10.0 113.185 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -167.21 -59.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.136 0.493 . . . . 10.0 109.725 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.447 HD12 HD12 ' C' ' 493' ' ' ILE . 70.7 mt -93.87 138.23 20.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.145 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -74.08 136.43 43.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.402 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 21.7 m -86.79 158.8 53.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 108.72 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.518 2.145 . . . . 10.0 112.149 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . 0.419 ' CD1' ' HD2' ' C' ' 503' ' ' PRO . 85.3 t80 -116.76 133.9 23.0 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.275 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' C' ' 502' ' ' PHE . 21.0 Cg_endo -62.43 113.29 1.87 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.635 2.223 . . . . 10.0 111.84 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.256 1.397 0 CA-C-O 117.919 -1.038 . . . . 10.0 109.601 -179.68 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -112.13 144.5 41.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.057 0.456 . . . . 10.0 111.456 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 pt -131.7 172.15 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.125 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 66' ' ' THR . 85.0 m-85 -122.79 117.15 25.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.108 0.48 . . . . 10.0 111.038 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.32 115.53 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -96.48 133.96 40.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.017 0.437 . . . . 10.0 110.826 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.45 HG23 HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.73 164.62 12.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.581 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' HB ' ' C' ' 486' ' ' VAL . 4.8 mt -66.25 -7.17 16.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.917 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -2.01 55.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.154 0.502 . . . . 10.0 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.54 -23.55 35.39 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.869 -0.605 . . . . 10.0 112.355 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -61.51 140.48 58.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.014 0.435 . . . . 10.0 111.185 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -116.36 118.28 32.29 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.24 127.9 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.467 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -93.8 110.26 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.982 -0.747 . . . . 10.0 108.982 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.88 148.38 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.784 0.326 . . . . 10.0 111.294 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -111.59 103.47 11.79 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.822 -0.806 . . . . 10.0 108.822 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.57 171.85 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.153 0.502 . . . . 10.0 111.336 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -113.01 159.26 35.31 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.549 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.19 -15.55 40.62 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 122.392 2.061 . . . . 10.0 112.583 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -91.23 -4.03 56.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.491 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.3 132.5 43.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.705 0.288 . . . . 10.0 110.726 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -83.1 155.32 23.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.131 178.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 47.4 mm -56.54 -38.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.721 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.7 97.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -67.84 -31.88 72.02 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.144 0.497 . . . . 10.0 110.18 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 22' ' ' THR . 88.8 t -66.8 -45.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 23' ' ' ILE . 17.5 mtmt -64.21 -33.37 75.64 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.123 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.0 92.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.404 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -63.81 -39.05 93.31 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.475 . . . . 10.0 109.86 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.83 -37.47 79.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -65.96 -37.85 87.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.52 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -73.04 -12.95 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.039 0.447 . . . . 10.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -104.75 -73.5 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.04 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.66 -36.68 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.275 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 29.3 11.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 10.0 112.112 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -104.35 126.72 30.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.388 -0.227 . . . . 10.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.11 151.54 58.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.65 2.233 . . . . 10.0 112.414 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 60.9 Cg_endo -72.15 -14.34 28.76 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.74 2.294 . . . . 10.0 112.579 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.01 -42.45 84.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.277 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -98.67 17.34 19.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.958 -178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 11.5 mt-30 -104.42 96.9 6.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.074 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -104.31 109.15 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.858 -0.793 . . . . 10.0 108.858 178.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -90.33 125.65 35.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 10.0 111.335 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.77 138.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.554 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' A' ' 50' ' ' LEU . 66.2 t80 -138.45 121.15 16.34 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.085 -0.709 . . . . 10.0 109.085 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.91 25.02 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.493 0.496 . . . . 10.0 111.578 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.43 66.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.885 -0.674 . . . . 10.0 113.547 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -127.34 142.11 51.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.444 -0.445 . . . . 10.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.68 144.79 35.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.94 0.4 . . . . 10.0 111.003 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 45' ' ' PHE . 13.9 mt -96.97 143.2 28.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.825 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 48.3 mt-10 -95.62 145.98 24.83 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -60.31 -34.38 73.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.903 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.08 29.39 4.27 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.977 -0.63 . . . . 10.0 113.737 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 16.1 mmt180 -128.01 163.94 23.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.154 0.477 . . . . 10.0 110.072 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.8 p -106.83 172.68 6.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.547 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.99 -30.05 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.263 0.554 . . . . 10.0 109.676 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.1 m -69.01 -26.85 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.634 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.93 -41.01 97.46 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.0 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -98.26 13.53 31.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.66 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 57.2 36.16 27.1 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.516 0.51 . . . . 10.0 111.242 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -82.29 112.22 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.636 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -97.6 -163.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.356 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.56 154.0 32.79 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.168 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.21 14.01 9.44 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.683 0.614 . . . . 10.0 112.093 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -77.29 143.1 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.907 -0.317 . . . . 10.0 110.273 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 6.2 m -98.26 118.52 35.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.897 0.379 . . . . 10.0 110.937 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.81 146.38 30.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.702 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -105.74 135.1 47.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.596 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD23 HG23 ' A' ' 7' ' ' THR . 53.5 tp -113.05 104.74 12.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.179 0.514 . . . . 10.0 110.855 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.1 t -90.88 135.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 8' ' ' LEU . 39.0 mt -89.52 159.49 17.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.052 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.514 ' HG3' ' OD2' ' C' ' 491' ' ' ASP . 15.8 ttt180 -138.37 148.26 44.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.628 -0.26 . . . . 10.0 110.927 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD12 ' CG1' ' C' ' 488' ' ' ILE . 73.0 mt -135.43 138.24 43.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.62 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.79 7.95 3.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.808 0.337 . . . . 10.0 110.712 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.03 -175.53 30.06 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 CA-C-O 118.416 -1.213 . . . . 10.0 111.998 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -100.71 139.12 36.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.125 0.488 . . . . 10.0 111.256 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -122.46 165.56 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.724 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.8 m-85 -116.96 113.55 22.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.771 0.319 . . . . 10.0 111.216 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.82 116.43 43.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -102.44 133.93 46.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 10.0 111.22 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 p -93.17 169.87 10.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.474 -0.785 . . . . 10.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.2 -33.28 74.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.715 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -31.35 70.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.464 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.74 -10.47 9.02 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.66 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.2 123.75 22.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.737 0.303 . . . . 10.0 110.619 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -103.51 124.51 48.9 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.78 131.09 62.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.694 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.35 136.95 32.75 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.851 -0.425 . . . . 10.0 109.851 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.519 HD11 HG12 ' B' ' 30' ' ' ILE . 45.6 mt -135.29 146.18 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 10.0 111.557 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -92.4 116.69 29.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.52 -0.763 . . . . 10.0 109.492 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 m -136.76 166.34 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.639 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 50.7 mm-40 -124.44 161.87 45.51 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.24 -24.03 65.26 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.281 1.988 . . . . 10.0 112.631 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.32 14.55 23.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.186 -0.461 . . . . 10.0 111.457 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -81.91 135.26 35.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 10.0 110.715 -179.741 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.9 OUTLIER -86.58 148.95 25.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.138 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -58.31 -36.26 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.55 . . . . 10.0 110.445 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -62.07 -38.83 90.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -71.88 -37.62 70.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.081 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -62.0 -42.38 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.111 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -65.36 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.439 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.79 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.224 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 32.5 mttt -69.35 -37.08 77.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.519 HG12 HD11 ' B' ' 15' ' ' LEU . 37.9 mt -71.67 -31.07 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 10.0 109.584 178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.452 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 41.9 tt0 -67.11 -26.62 66.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.257 179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.94 -28.36 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.011 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -88.35 -54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.064 0.394 . . . . 10.0 112.064 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -91.82 -30.97 15.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.731 0.271 . . . . 10.0 111.731 -178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.1 23.3 32.73 Favored Glycine 0 CA--C 1.517 0.161 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.779 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.17 125.72 55.55 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 122.852 -0.205 . . . . 10.0 110.681 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -56.26 138.6 83.99 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.762 2.308 . . . . 10.0 112.151 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -59.9 -20.3 59.1 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.145 2.563 . . . . 10.0 113.56 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -18.48 47.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 10.0 110.816 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.434 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.6 mt-30 -104.94 0.17 27.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.977 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -94.0 115.11 27.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.548 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -119.71 102.88 8.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.796 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.71 124.78 36.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.046 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.92 131.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.544 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.3 t80 -125.01 115.33 20.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.79 28.85 18.58 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.516 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.63 76.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.842 -0.694 . . . . 10.0 112.652 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -96.68 131.38 43.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.818 0.342 . . . . 10.0 110.71 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -79.09 126.5 30.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.595 . . . . 10.0 110.103 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.1 mt -83.41 137.15 34.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.854 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -101.02 147.48 26.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.26 -50.48 69.39 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.563 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.78 39.26 1.98 Allowed Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.392 -0.432 . . . . 10.0 113.938 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 75.3 mmt-85 -139.1 161.16 38.07 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 38.1 p -107.97 170.28 8.09 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.857 0.36 . . . . 10.0 110.872 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -35.83 81.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.675 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -28.81 68.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.255 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -62.84 -33.46 75.3 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.128 0.49 . . . . 10.0 111.03 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -102.56 13.47 34.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.522 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 59.05 32.7 22.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.496 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.1 mt -80.28 115.75 23.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.966 0.412 . . . . 10.0 110.03 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -101.64 -167.62 1.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.009 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 56.4 pttt -77.66 155.37 31.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 69.58 12.62 8.19 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.68 0.613 . . . . 10.0 111.822 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.7 m -78.88 140.54 38.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 10.0 110.821 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.4 m -99.35 122.22 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.446 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -107.3 144.52 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.917 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -102.1 127.05 49.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.482 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.1 tp -106.44 112.47 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.181 0.515 . . . . 10.0 111.016 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -97.76 125.86 50.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.772 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.86 125.69 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.138 0.494 . . . . 10.0 111.169 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 51.6 ttt180 -98.97 100.24 11.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.167 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 35.3 mt -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.942 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 ttt-85 -141.67 79.33 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.13 0.491 . . . . 10.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.05 -163.66 33.92 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.614 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 118.659 -1.079 . . . . 10.0 112.132 179.656 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.67 0.271 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 61.62 33.82 18.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.178 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.99 -49.13 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -62.37 -38.37 89.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 10.0 110.588 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.96 -40.39 87.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.394 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -65.96 -44.65 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.379 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.958 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . 0.402 ' HB3' ' CG1' ' C' ' 486' ' ' VAL . 31.5 mtm -66.39 -37.88 86.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.425 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.82 81.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.451 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -60.37 -38.66 84.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.474 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' C' ' 463' ' ' GLN . 0.6 OUTLIER -62.66 -36.11 81.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 110.288 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.49 ' HA ' ' HE2' ' C' ' 467' ' ' MET . 70.7 mt -70.28 -35.45 62.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 10.0 109.609 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -64.4 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.776 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.74 -24.16 59.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' C' ' 464' ' ' ILE . 47.8 mtm -91.55 -44.5 9.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 10.0 110.256 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -123.9 78.94 57.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.285 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.49 8.62 2.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.293 1.995 . . . . 10.0 112.615 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.71 -19.78 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.458 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.35 130.28 34.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.395 -0.224 . . . . 10.0 110.395 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -52.52 128.36 27.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.871 2.38 . . . . 10.0 112.931 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -51.84 -43.03 63.01 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -63.75 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.573 0.225 . . . . 10.0 111.495 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 475' ' ' LEU . 22.7 mt -74.38 -32.53 62.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.9 -41.03 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.277 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.57 -29.93 70.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.55 -0.75 . . . . 10.0 110.871 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' C' ' 478' ' ' GLN . 4.8 tt0 -57.56 -56.12 26.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.848 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.647 ' HB3' HG23 ' C' ' 489' ' ' THR . 13.2 t70 -67.92 -31.11 70.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.054 0.454 . . . . 10.0 110.343 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' C' ' 484' ' ' ARG . 0.5 OUTLIER -65.71 -13.38 59.16 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.887 179.441 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.11 -24.41 15.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 10.0 110.062 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.54 -58.55 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.953 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 33.8 p -87.26 -37.47 17.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.985 0.422 . . . . 10.0 109.882 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' C' ' 480' ' ' LEU . 10.0 mtt180 63.44 27.7 15.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.121 -0.945 . . . . 10.0 111.701 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.49 126.97 16.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.79 0.329 . . . . 10.0 111.212 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.433 ' HB ' HD22 ' A' ' 8' ' ' LEU . 22.2 m -64.21 -26.1 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.343 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.37 -3.28 36.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.414 ' CG1' HD12 ' A' ' 73' ' ' LEU . 48.0 mt -119.12 -45.25 2.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 116.209 -0.45 . . . . 10.0 109.884 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.647 HG23 ' HB3' ' C' ' 479' ' ' ASP . 53.1 m -55.51 -62.56 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.719 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -39.39 85.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.246 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.514 ' OD2' ' HG3' ' A' ' 72' ' ' ARG . 25.2 t0 -62.72 -50.98 68.96 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.79 -45.96 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.706 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.34 -42.24 94.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.08 -19.74 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.667 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -101.76 -18.67 15.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.004 0.43 . . . . 10.0 110.741 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 103.48 98.38 2.47 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . 0.428 ' HB3' HD12 ' C' ' 498' ' ' ILE . 1.6 tpp180 -148.62 -46.63 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.039 0.447 . . . . 10.0 110.103 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' C' ' 497' ' ' ARG . 3.7 mp -93.76 141.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -59.05 136.6 58.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.122 0.487 . . . . 10.0 111.614 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . 0.407 ' HB ' ' CD ' ' C' ' 501' ' ' PRO . 33.0 m -92.17 169.19 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . 0.407 ' CD ' ' HB ' ' C' ' 500' ' ' VAL . 17.1 Cg_exo -67.53 81.9 0.42 Allowed 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.397 2.065 . . . . 10.0 112.104 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -86.72 130.1 50.14 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.252 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.1 104.14 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.515 2.143 . . . . 10.0 111.892 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.173 -0.918 . . . . 10.0 110.065 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.5 ptt? . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.705 -0.479 . . . . 10.0 109.705 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -103.8 137.59 41.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.861 0.362 . . . . 10.0 110.913 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.03 162.6 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.23 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -115.4 133.44 56.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.326 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.48 117.88 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -90.19 141.43 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.087 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 p -117.13 166.65 11.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.728 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.73 -7.27 51.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.24 -9.48 38.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.78 0.324 . . . . 10.0 111.156 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.2 17.87 41.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.841 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -104.84 128.2 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.814 0.34 . . . . 10.0 110.744 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -100.22 108.89 21.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 10.0 110.138 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mt -89.68 151.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.393 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 129.09 49.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.395 -0.595 . . . . 10.0 109.395 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -137.04 156.2 48.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 10.0 111.192 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -100.49 120.79 40.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.413 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 1' ' ' MET . 17.2 m -140.72 177.37 3.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.91 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 56' ' ' LEU . 22.8 mm-40 -135.75 158.85 73.28 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.98 -34.87 58.53 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.789 2.326 . . . . 10.0 113.621 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 m -85.8 10.66 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.11 149.07 33.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.4 145.06 24.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.847 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.28 -40.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.284 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.23 -36.72 80.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.013 0.435 . . . . 10.0 110.11 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.6 t30 -67.23 -37.28 83.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.791 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.42 -39.85 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.809 -0.811 . . . . 10.0 108.809 178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.16 -41.04 97.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.377 -0.829 . . . . 10.0 110.215 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.81 82.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.959 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 80.0 mttt -67.96 -33.97 75.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.21 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.86 -38.36 28.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.525 0.679 . . . . 10.0 109.25 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -61.33 -52.33 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.075 -0.966 . . . . 10.0 110.066 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -81.85 48.32 1.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.745 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -161.91 -58.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.404 -0.817 . . . . 10.0 109.482 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.16 -27.69 19.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.64 49.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.806 -0.711 . . . . 10.0 112.799 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.9 mt -95.62 121.16 62.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 27.2 Cg_exo -61.25 137.76 72.88 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.687 2.258 . . . . 10.0 112.052 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.51 -23.8 33.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.284 2.656 . . . . 10.0 112.88 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.45 -30.98 71.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.072 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.43 -4.81 33.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.686 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -84.91 102.11 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.28 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.45 ' CZ ' HD22 ' C' ' 494' ' ' LEU . 12.4 ttt180 -104.19 87.47 2.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.69 125.38 26.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 10.0 111.405 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -120.79 141.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.811 . . . . 10.0 109.958 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -137.14 116.35 12.58 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.109 -0.7 . . . . 10.0 109.109 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 22.38 13.23 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.543 0.527 . . . . 10.0 111.378 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' HE22 ' C' ' 470' ' ' GLN . . . 91.97 11.23 60.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 10.0 113.272 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -126.08 146.45 49.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.857 -0.423 . . . . 10.0 109.857 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.21 147.7 28.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.96 0.41 . . . . 10.0 111.389 -178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -97.6 134.56 40.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.299 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -84.91 136.62 33.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.738 0.304 . . . . 10.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.79 -39.35 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.921 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.26 39.01 2.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 121.052 -0.594 . . . . 10.0 113.323 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -135.33 162.76 31.68 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.174 -0.306 . . . . 10.0 110.174 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 63.7 p -108.79 168.89 9.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.261 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.8 mt -63.94 -34.13 77.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.847 0.356 . . . . 10.0 110.389 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.29 -22.59 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.142 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -65.03 -41.87 94.88 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.993 0.425 . . . . 10.0 110.554 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.37 8.36 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.512 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 t30 63.41 32.01 14.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.447 0.641 . . . . 10.0 111.126 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.5 mt -75.72 124.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.997 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.13 -163.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.987 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -68.35 149.54 49.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.478 . . . . 10.0 111.249 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 71.61 2.41 4.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.737 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.2 m -68.55 135.25 51.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.802 0.334 . . . . 10.0 110.395 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.0 m -101.68 115.34 30.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.097 0.475 . . . . 10.0 110.951 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -94.03 149.29 21.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.494 -0.776 . . . . 10.0 109.663 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -112.54 121.53 45.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.679 0.276 . . . . 10.0 110.521 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.9 tp -97.39 103.51 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.462 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.6 t -92.68 129.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.454 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -89.85 119.95 30.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -120.69 126.07 49.27 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.517 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.529 HD11 HG12 ' C' ' 488' ' ' ILE . 0.9 OUTLIER -95.66 178.77 5.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.376 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -118.49 19.45 13.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.7 -0.682 . . . . 10.0 109.179 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.61 131.3 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.223 -0.899 . . . . 10.0 111.678 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.795 -1.003 . . . . 10.0 111.47 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.872 0.367 . . . . 10.0 110.547 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -99.41 135.4 40.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.414 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.09 156.83 31.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.934 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.4 m-85 -115.72 112.32 21.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 54.4 t -101.38 109.87 26.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.301 -0.409 . . . . 10.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -99.01 125.23 44.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.177 0.513 . . . . 10.0 110.987 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.48 162.08 16.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.621 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -56.28 -28.28 58.15 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.701 0.286 . . . . 10.0 111.6 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.41 -10.95 60.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.924 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.71 -24.05 29.57 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.372 -0.691 . . . . 10.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -56.82 124.94 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.197 -0.501 . . . . 10.0 110.99 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -110.7 111.69 23.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mt -95.09 132.82 38.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.183 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -98.88 119.59 37.91 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -123.13 151.73 41.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.001 0.429 . . . . 10.0 110.968 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -105.57 119.77 39.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.57 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.3 m -138.17 172.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.93 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' B' ' 56' ' ' LEU . 12.7 mm-40 -126.01 158.43 66.0 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.35 -28.41 53.24 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 122.395 2.064 . . . . 10.0 112.904 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.15 10.4 14.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.977 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -91.36 142.31 27.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 1.4 p -92.87 153.42 18.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.772 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 47.8 mm -58.68 -39.17 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.458 . . . . 10.0 109.82 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.82 -37.46 73.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.382 -0.826 . . . . 10.0 110.656 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -73.57 -38.03 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.437 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.03 -43.05 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.439 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' B' ' 23' ' ' ILE . 44.5 mtpt -62.43 -33.75 75.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.087 0.47 . . . . 10.0 110.606 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.62 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.44 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -72.63 -36.74 68.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.211 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.25 -36.48 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.36 0.6 . . . . 10.0 109.385 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -68.17 -29.12 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.472 -0.785 . . . . 10.0 110.339 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.0 -43.0 36.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -78.76 -50.6 11.07 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.554 0.576 . . . . 10.0 112.554 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -86.37 -51.73 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.69 0.281 . . . . 10.0 111.603 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.05 10.36 14.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.49 -0.862 . . . . 10.0 111.964 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.8 mt -88.13 122.24 70.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 55.0 Cg_exo -52.08 140.56 49.97 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.187 2.591 . . . . 10.0 112.291 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 34.4 Cg_exo -57.16 -35.21 98.85 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.874 2.383 . . . . 10.0 112.781 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -29.28 70.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 10.0 111.052 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.55 2.21 54.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.943 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -99.13 123.77 43.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.291 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -119.34 100.95 7.63 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -89.58 121.64 31.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.94 134.82 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.741 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 65.8 t80 -132.49 118.15 18.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.043 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 22.29 13.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.786 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.18 -19.54 51.12 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.659 -0.781 . . . . 10.0 113.369 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 25.3 pttt -97.3 138.53 34.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.175 0.487 . . . . 10.0 110.62 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -82.32 134.58 35.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.449 -0.575 . . . . 10.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.9 mt -88.43 132.52 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.181 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 24.3 mt-10 -84.98 148.96 25.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.991 -0.549 . . . . 10.0 109.599 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.27 -40.12 95.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.595 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.45 3.37 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.952 -0.642 . . . . 10.0 113.114 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 24.8 mmt180 -138.26 160.49 39.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 52.8 p -104.22 165.5 11.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.543 -0.298 . . . . 10.0 110.256 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' B' ' 18' ' ' GLU . 61.6 mt -65.8 -31.22 72.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.062 0.458 . . . . 10.0 110.287 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -22.55 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.815 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -70.16 -27.39 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 10.0 111.242 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.419 ' CD2' HD22 ' B' ' 50' ' ' LEU . 85.5 m-85 -106.8 7.11 30.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.53 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 61.87 40.08 13.01 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.797 0.686 . . . . 10.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.8 mt -81.76 115.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.841 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.26 -164.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.673 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.38 151.63 38.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.741 -0.209 . . . . 10.0 110.493 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 70.66 6.58 5.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.197 0.599 . . . . 10.0 112.016 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 60.6 m -66.43 132.72 48.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 10.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.7 m -101.03 115.42 30.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.561 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -103.23 147.34 27.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.89 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -101.3 128.67 47.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.268 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 tp -106.16 104.13 13.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.96 0.41 . . . . 10.0 110.72 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.9 t -95.59 141.39 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.76 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 65.8 mt -89.24 140.55 29.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.905 0.383 . . . . 10.0 110.969 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 72' ' ' ARG . 23.7 ttt180 -125.1 100.94 6.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.656 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 34.8 mt -105.94 107.95 19.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.021 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 47.03 2.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 10.0 110.709 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.46 52.31 40.78 Favored Glycine 0 C--O 1.228 -0.24 0 CA-C-N 115.85 -0.614 . . . . 10.0 112.351 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.922 -0.932 . . . . 10.0 111.411 -179.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.29 0.09 . . . . 10.0 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' C' ' 457' ' ' LEU . 0.9 OUTLIER 61.45 23.95 14.13 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.344 0.403 . . . . 10.0 111.653 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -45.14 93.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.845 0.355 . . . . 10.0 111.541 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -70.98 -38.2 72.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.056 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . 0.439 HD12 ' OD1' ' C' ' 454' ' ' ASN . 22.0 mt -66.62 -39.36 88.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.18 -39.69 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.849 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.67 91.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.826 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 30.6 mtm -68.49 -38.68 81.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.514 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.23 -34.02 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.546 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -60.43 -44.35 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.683 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -64.28 -35.24 80.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.907 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.481 HD11 HG12 ' C' ' 486' ' ' VAL . 71.6 mt -68.1 -36.55 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.948 -0.39 . . . . 10.0 109.948 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -62.9 -29.74 71.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.355 0.598 . . . . 10.0 110.046 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -68.12 -33.91 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.327 -0.851 . . . . 10.0 111.106 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 2.5 mmm -83.45 -42.36 17.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.53 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.497 ' O ' HG12 ' C' ' 471' ' ' VAL . 33.0 m-85 -118.23 92.39 42.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.552 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.3 10.75 3.1 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.394 2.063 . . . . 10.0 113.5 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . 0.442 HE22 ' HA3' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -115.41 17.67 16.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 10.0 111.421 179.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.497 HG12 ' O ' ' C' ' 468' ' ' PHE . 14.8 p -119.93 128.43 25.87 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . 0.514 ' HG2' HD12 ' C' ' 475' ' ' LEU . 31.8 Cg_exo -59.73 132.6 46.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.628 2.219 . . . . 10.0 112.523 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -54.26 -44.63 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.885 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -63.58 -31.53 72.73 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.514 HD12 ' HG2' ' C' ' 472' ' ' PRO . 21.9 mt -74.02 -30.64 62.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.887 0.375 . . . . 10.0 110.071 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 472' ' ' PRO . 42.4 t -71.07 -42.25 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.422 -0.584 . . . . 10.0 109.422 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.76 -31.17 71.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.762 -0.653 . . . . 10.0 110.429 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' C' ' 478' ' ' GLN . 6.3 tt0 -61.02 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.409 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' C' ' 489' ' ' THR . 11.6 t70 -71.63 -37.68 70.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . 0.439 HD12 HD22 ' C' ' 457' ' ' LEU . 0.2 OUTLIER -57.12 -36.78 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.11 179.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -88.21 0.99 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.008 0.432 . . . . 10.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.13 -54.33 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 71.4 p -89.82 -35.47 15.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.434 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? 65.07 28.25 12.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.743 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.4 t -147.44 118.05 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.361 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.481 HG12 HD11 ' C' ' 464' ' ' ILE . 17.5 m -61.77 -27.37 42.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.918 0.39 . . . . 10.0 110.929 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.78 -25.84 65.8 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.838 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . 0.529 HG12 HD11 ' A' ' 73' ' ' LEU . 33.4 mt -96.22 -40.85 11.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.126 179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.524 HG23 ' HB3' ' C' ' 479' ' ' ASP . 85.5 m -57.31 -55.19 37.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.487 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -29.59 70.76 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.731 0.301 . . . . 10.0 110.607 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.17 -40.18 74.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 10.0 109.945 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.336 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . . . . . . . . . 44.0 mt -78.25 -37.47 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 10.0 109.978 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.45 HD22 ' CZ ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -65.5 -45.24 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.426 -0.806 . . . . 10.0 111.298 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -80.07 -70.35 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.557 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . 0.427 ' O ' ' HD3' ' C' ' 497' ' ' ARG . . . 160.67 89.02 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.348 -0.929 . . . . 10.0 112.703 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' C' ' 496' ' ' GLY . 0.9 OUTLIER -136.86 -46.5 0.59 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . 0.436 HG23 HD13 ' C' ' 475' ' ' LEU . 2.0 mp -83.59 126.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.885 -0.783 . . . . 10.0 108.885 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -67.32 124.7 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.964 0.411 . . . . 10.0 111.039 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 30.4 m -79.01 163.05 62.2 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.12 90.67 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.587 2.191 . . . . 10.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -89.35 132.03 38.65 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.904 -0.589 . . . . 10.0 109.939 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.19 114.29 2.13 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.998 2.465 . . . . 10.0 112.66 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.252 1.222 0 CA-C-O 117.884 -1.055 . . . . 10.0 109.203 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.3 ptt? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.939 -0.393 . . . . 10.0 109.939 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -94.29 135.88 35.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.889 0.376 . . . . 10.0 111.101 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -121.03 163.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.053 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -119.59 116.41 25.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -104.17 116.76 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.47 140.09 29.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.816 0.341 . . . . 10.0 110.085 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.0 p -115.6 168.2 10.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.52 -10.19 59.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.45 1.52 57.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.684 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 7.08 87.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.271 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -92.11 142.42 27.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.01 0.405 . . . . 10.0 110.513 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -108.83 108.09 18.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.955 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.25 125.13 41.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.594 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -100.94 131.52 46.78 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.09 -0.505 . . . . 10.0 109.817 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.67 151.44 48.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.907 0.384 . . . . 10.0 111.516 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.38 112.43 24.26 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.56 ' O ' ' HG2' ' A' ' 1' ' ' MET . 18.2 m -132.18 162.28 39.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.1 mm-40 -121.81 155.26 60.51 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 108.828 -0.804 . . . . 10.0 108.828 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -50.78 -34.15 43.49 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 122.381 2.054 . . . . 10.0 113.465 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 m -84.27 5.6 26.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.14 154.49 37.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.004 0.431 . . . . 10.0 110.137 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 143.93 29.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.659 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -56.61 -39.69 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 10.0 110.478 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.33 -38.6 80.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.652 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -67.79 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.924 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.93 -40.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.603 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.75 -37.81 85.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.858 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.61 82.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.491 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.04 -40.54 87.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.019 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -67.03 -38.44 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.78 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -65.91 -35.88 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.016 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.28 -34.16 70.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.177 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -83.55 -53.27 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -85.08 -52.35 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.15 5.5 17.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.525 -0.845 . . . . 10.0 111.891 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.13 123.35 68.84 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.6 143.76 87.7 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.617 2.211 . . . . 10.0 112.19 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 33.1 Cg_exo -57.73 -24.45 63.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 10.0 112.656 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.15 -30.64 69.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.442 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -103.73 15.74 28.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.091 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -106.37 101.95 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 10.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD3' HD22 ' C' ' 494' ' ' LEU . 35.2 mtt180 -104.57 91.89 4.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.316 0.579 . . . . 10.0 109.489 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -77.79 127.7 32.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.614 -0.721 . . . . 10.0 111.954 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.22 137.87 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.546 -0.752 . . . . 10.0 110.195 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB3' HD21 ' A' ' 50' ' ' LEU . 84.1 t80 -137.43 122.46 19.05 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.36 27.04 16.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.31 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -7.99 80.89 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.119 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -104.58 145.52 30.2 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.412 -0.218 . . . . 10.0 110.412 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -84.2 143.18 29.78 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.843 -0.429 . . . . 10.0 109.843 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.2 mt -92.56 139.45 30.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.499 -0.319 . . . . 10.0 110.754 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 143.81 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 10.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.93 -26.08 66.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.09 11.37 65.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.733 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -119.26 164.65 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.128 0.464 . . . . 10.0 110.718 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.8 p -105.89 179.48 4.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.735 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.1 mt -69.21 -37.21 77.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 10.0 111.476 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -15.82 63.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.495 -0.32 . . . . 10.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.39 -22.52 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -114.91 9.15 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.46 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 61.47 36.37 17.2 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.483 -0.78 . . . . 10.0 111.125 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.33 110.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.12 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -96.48 -172.83 2.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.768 0.318 . . . . 10.0 111.523 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 64.95 15.44 9.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.454 -0.794 . . . . 10.0 112.82 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 153.49 38.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.719 0.295 . . . . 10.0 110.37 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.7 m -102.87 119.98 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 10.0 111.238 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.63 141.18 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' C' ' 467' ' ' MET . 50.1 m80 -104.49 121.43 43.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.968 0.413 . . . . 10.0 110.971 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -97.48 98.9 10.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 10.0 110.208 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.9 t -87.02 128.43 39.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' C' ' 491' ' ' ASP . 30.1 mt -78.78 159.08 28.06 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HA ' ' CG ' ' C' ' 491' ' ' ASP . 0.0 OUTLIER -137.6 141.65 41.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.893 -0.323 . . . . 10.0 111.71 -178.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mp -146.3 144.88 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.679 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -107.09 20.52 18.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.158 0.504 . . . . 10.0 109.824 178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.18 173.75 14.41 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.496 -1.169 . . . . 10.0 111.922 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -115.62 137.38 52.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.957 0.408 . . . . 10.0 111.199 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 pt -123.45 169.09 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.668 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -121.97 133.83 54.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.742 0.306 . . . . 10.0 110.937 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.4 117.05 53.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.024 -0.535 . . . . 10.0 109.738 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -97.42 132.62 42.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.028 0.442 . . . . 10.0 110.465 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 1.2 p -99.52 170.34 8.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.593 -0.73 . . . . 10.0 110.607 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.6 -14.5 62.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.382 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -7.5 58.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.813 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.74 9.98 63.68 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.019 -0.61 . . . . 10.0 112.02 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.447 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 82.9 tttt -87.0 127.34 35.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.294 . . . . 10.0 110.701 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -105.02 103.64 13.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.199 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mt -89.34 143.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.215 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -104.07 132.16 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -133.19 145.89 51.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 10.0 111.669 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -91.7 122.12 33.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.732 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' B' ' 1' ' ' MET . 17.6 m -142.72 170.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.661 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.8 mm-40 -131.09 163.72 47.21 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.93 -33.71 89.79 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 121.963 1.775 . . . . 10.0 112.037 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.25 9.75 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.942 -0.572 . . . . 10.0 112.136 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.582 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.2 OUTLIER -76.55 128.93 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 10.0 110.523 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.11 145.3 35.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.18 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.42 -38.47 63.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.221 0.534 . . . . 10.0 109.736 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.95 -34.13 74.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.79 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.4 -35.43 73.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.303 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.87 -37.5 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.694 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.3 mmmm -62.51 -38.23 89.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.83 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . . . -69.43 -30.18 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.64 -36.39 65.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.115 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -71.8 -39.26 67.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.14 -25.43 66.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.392 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -75.09 -46.88 31.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.101 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -79.37 -46.82 16.88 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -89.96 -41.74 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.127 0.788 . . . . 10.0 113.127 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.43 41.42 5.77 Favored Glycine 0 C--N 1.322 -0.226 0 C-N-CA 120.205 -0.997 . . . . 10.0 111.527 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -111.74 129.27 24.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -50.93 126.54 18.93 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.743 2.295 . . . . 10.0 112.386 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -54.43 -28.43 54.09 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.899 2.399 . . . . 10.0 113.227 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -14.97 62.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.344 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -105.18 -3.33 23.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.01 0.433 . . . . 10.0 110.542 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.511 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 77.9 mt-30 -89.66 106.58 18.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.168 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -109.79 102.26 11.07 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -87.7 122.8 31.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.337 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.68 128.0 75.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.428 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -105.2 100.5 10.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.969 0.414 . . . . 10.0 111.179 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.77 18.53 4.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.527 -0.761 . . . . 10.0 112.725 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.32 -27.7 6.0 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.201 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -88.73 116.74 27.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 10.0 110.41 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -68.29 135.6 52.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.216 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.1 mt -92.13 129.46 38.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.281 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -94.73 134.14 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.667 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.87 -34.22 40.03 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.848 0.685 . . . . 10.0 112.848 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 19.52 10.42 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.178 -0.534 . . . . 10.0 113.726 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -124.83 167.71 14.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.097 0.449 . . . . 10.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.47 162.61 14.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.009 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.25 -36.76 83.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 10.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -61.72 -32.09 72.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.473 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.3 -41.8 96.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -89.15 4.15 49.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.013 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 61.38 31.56 19.17 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.094 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.8 mt -79.13 113.34 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.066 0.46 . . . . 10.0 110.498 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.99 -170.12 1.59 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.622 -0.717 . . . . 10.0 109.196 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 12.2 pttp -69.75 166.19 19.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.8 mp0 77.13 -27.26 0.18 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.697 0.623 . . . . 10.0 111.343 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -62.54 133.54 55.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 10.0 111.289 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.0 m -104.71 127.42 52.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.678 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.47 141.68 31.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.783 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -97.74 120.06 37.44 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -102.39 111.37 23.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.005 0.431 . . . . 10.0 111.294 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -102.82 123.85 56.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.811 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.9 mt -91.25 115.84 28.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.916 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.478 ' NH1' ' HD3' ' B' ' 74' ' ' ARG . 30.2 ttt180 -90.61 88.09 6.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 10.0 110.237 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.2 mt -89.53 115.09 26.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.478 ' HD3' ' NH1' ' B' ' 72' ' ' ARG . 40.2 mtm180 -109.27 161.62 15.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.208 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.53 -176.46 18.22 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.747 -0.74 . . . . 10.0 112.041 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.375 -1.236 . . . . 10.0 112.015 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.49 0.186 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 66.89 16.36 10.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.799 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.08 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 10.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -67.89 -38.78 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.125 0.488 . . . . 10.0 110.237 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.52 -40.99 89.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -62.47 -45.69 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.514 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.36 81.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 65.3 mtm -62.08 -37.41 84.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.26 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.964 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -64.4 -33.93 77.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.865 0.364 . . . . 10.0 110.043 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.54 -37.24 86.56 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . . . . . . . . . 72.6 mt -72.5 -38.52 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.736 -0.665 . . . . 10.0 109.89 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -59.5 -33.31 71.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.606 -0.724 . . . . 10.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.6 -21.92 61.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.458 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 68' ' ' HIS . 56.0 mmm -91.04 -43.34 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.748 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.442 ' O ' HG12 ' C' ' 471' ' ' VAL . 0.5 OUTLIER -120.92 82.63 36.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.794 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.97 43.76 1.54 Allowed 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.937 2.425 . . . . 10.0 112.578 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -146.94 17.61 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.475 . . . . 10.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.442 HG12 ' O ' ' C' ' 468' ' ' PHE . 8.5 p -123.22 135.66 26.21 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.952 -0.567 . . . . 10.0 109.575 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.89 129.49 32.3 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.202 1.935 . . . . 10.0 111.778 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -54.89 -43.36 73.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 10.0 112.018 -178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -65.83 -27.19 68.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.67 0.272 . . . . 10.0 111.581 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -71.41 -38.79 71.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 16.5 t -67.09 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.919 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.38 -38.56 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.796 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.53 -49.22 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.279 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.77 -34.17 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.878 -0.329 . . . . 10.0 110.887 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -30.47 69.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 10.0 110.74 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -81.39 -10.2 59.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 10.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.41 -56.6 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.44 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 17.4 p -80.01 -39.23 30.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.619 -0.264 . . . . 10.0 111.333 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 65.12 28.74 12.22 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.807 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 12.5 t -150.34 120.79 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.904 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.53 -26.36 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.95 -22.44 63.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.428 -0.806 . . . . 10.0 111.172 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 21.7 mt -103.15 -34.86 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.706 -0.225 . . . . 10.0 111.509 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.4 ' O ' HG13 ' C' ' 493' ' ' ILE . 86.8 m -62.63 -60.08 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.694 0.257 . . . . 10.0 111.694 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -34.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.504 0.669 . . . . 10.0 111.046 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 72' ' ' ARG . 17.8 t0 -70.05 -49.37 51.92 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.947 -1.024 . . . . 10.0 111.68 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -53.88 -28.38 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.764 -0.653 . . . . 10.0 111.769 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.4 HG13 ' O ' ' C' ' 489' ' ' THR . 77.4 mt -64.62 -39.43 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 10.0 110.389 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . 0.504 HD22 ' HD3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.882 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.27 -45.51 39.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.81 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 122.27 21.1 2.86 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.942 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -73.44 -29.07 62.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.34 0.59 . . . . 10.0 109.973 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.89 133.19 51.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.111 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.5 122.63 18.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 10.0 110.717 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 19.1 m -83.59 158.07 63.43 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.64 94.77 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.551 2.167 . . . . 10.0 111.695 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -122.48 137.25 27.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.618 -0.719 . . . . 10.0 110.068 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.46 132.0 45.97 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.617 2.211 . . . . 10.0 112.072 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.903 -1.046 . . . . 10.0 109.397 -179.644 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.0 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.985 0.421 . . . . 10.0 110.06 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -93.64 140.18 29.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.309 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 pt -128.5 165.64 27.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.004 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' THR . 56.8 m-85 -116.77 114.88 24.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.651 -179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -101.98 115.32 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -96.05 137.65 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.847 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -113.4 172.04 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD22 ' HB ' ' C' ' 486' ' ' VAL . 35.1 mt -64.77 -17.99 64.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.056 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 p -89.64 0.34 57.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.372 . . . . 10.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 -5.49 84.8 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.135 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HE3' HG12 ' A' ' 13' ' ' ILE . 61.2 tttp -71.24 134.67 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.748 0.309 . . . . 10.0 110.521 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -113.86 109.78 19.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.232 0.539 . . . . 10.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.461 HG12 ' HE3' ' A' ' 11' ' ' LYS . 6.1 mt -88.86 138.3 19.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.285 -178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.91 120.02 40.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.742 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.9 150.47 52.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.996 0.427 . . . . 10.0 111.832 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -90.26 113.49 25.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.321 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 1' ' ' MET . 16.1 m -133.39 169.59 21.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.372 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 56' ' ' LEU . 28.7 mm-40 -133.92 158.72 74.75 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 108.886 -0.783 . . . . 10.0 108.886 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.09 -37.29 68.45 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.294 1.996 . . . . 10.0 112.87 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.73 7.38 8.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.462 0.541 . . . . 10.0 112.462 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -81.75 132.48 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.29 142.09 36.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.605 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -52.87 -41.07 38.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.901 0.381 . . . . 10.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.52 -42.7 96.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.618 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.26 -36.44 84.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.16 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' ILE . 96.4 t -61.11 -44.93 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.892 -0.595 . . . . 10.0 109.786 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -64.28 -32.71 74.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.5 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.03 90.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.148 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.29 -39.13 91.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.683 -0.69 . . . . 10.0 109.888 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 26' ' ' VAL . 40.3 mt -71.5 -38.07 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.168 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -62.52 -35.68 80.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.651 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -83.14 -52.91 6.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.854 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -77.28 -67.88 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.961 0.41 . . . . 10.0 111.875 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.29 12.32 4.78 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.337 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.7 mt -86.45 126.61 63.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 72.6 Cg_exo -50.93 143.12 31.61 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.782 2.321 . . . . 10.0 112.623 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 Cg_exo -61.93 -19.09 64.63 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.725 2.283 . . . . 10.0 113.492 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -90.18 -20.52 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 10.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 89.9 mt-30 -97.67 1.96 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 10.0 109.803 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.54 101.87 13.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.308 -0.86 . . . . 10.0 109.958 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . 9.9 mtp180 -98.25 108.53 21.25 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 43' ' ' LEU . 9.1 mt -88.66 119.52 29.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.004 0.43 . . . . 10.0 110.929 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' C' ' 468' ' ' PHE . 1.7 mp -114.83 133.45 60.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.33 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.715 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.2 t80 -139.19 126.87 21.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.706 -0.679 . . . . 10.0 109.274 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.64 22.03 12.53 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.0 -0.545 . . . . 10.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.76 20.52 50.45 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.35 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 44' ' ' ILE . 38.4 mtmt -143.15 162.02 36.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.841 0.32 . . . . 10.0 110.227 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.12 150.39 22.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.759 0.314 . . . . 10.0 110.688 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 45' ' ' PHE . 23.9 mt -102.79 145.85 29.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.488 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.39 150.77 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.627 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.46 -32.16 68.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.35 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.57 35.54 4.09 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.995 -0.621 . . . . 10.0 113.286 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -130.02 160.39 33.81 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.2 p -99.61 178.57 4.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.528 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 18' ' ' GLU . 87.7 mt -73.77 -32.38 63.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.064 0.459 . . . . 10.0 109.802 179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -20.78 63.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.637 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -60.65 -37.07 80.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.977 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.86 15.27 25.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.932 -0.577 . . . . 10.0 110.789 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 58.62 42.28 20.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.14 -0.937 . . . . 10.0 111.934 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.1 mt -86.52 127.85 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.156 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -121.55 -162.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.0 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -68.94 148.13 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.332 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 62.65 27.03 15.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.533 -0.758 . . . . 10.0 112.744 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.6 m -87.31 144.51 26.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 3.7 m -101.74 124.9 48.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.765 0.317 . . . . 10.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.79 142.67 45.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -101.44 128.19 47.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.918 0.389 . . . . 10.0 110.23 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -107.23 101.25 10.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.253 0.549 . . . . 10.0 110.675 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.536 HG13 ' HB ' ' C' ' 490' ' ' THR . 74.8 t -89.55 134.8 27.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.147 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.1 168.04 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.195 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.421 ' HG3' ' OD1' ' C' ' 491' ' ' ASP . 23.0 ttt180 -138.4 112.01 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.746 0.308 . . . . 10.0 110.691 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' C' ' 487' ' ' GLU . 5.6 mp -138.95 99.12 3.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.182 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -110.09 2.91 19.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.989 0.423 . . . . 10.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.25 62.82 0.57 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.085 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.811 0 CA-C-O 117.784 -1.565 . . . . 10.0 110.969 179.799 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.808 -0.441 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -110.44 132.96 53.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.588 0.232 . . . . 10.0 111.182 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -120.14 158.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -115.47 124.43 51.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.709 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 121.29 59.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.649 -0.501 . . . . 10.0 109.649 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -109.63 132.94 53.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.938 0.399 . . . . 10.0 111.178 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.1 p -95.95 169.39 10.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.16 -19.17 65.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.87 0.367 . . . . 10.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.66 -10.45 58.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.258 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.48 -15.51 58.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 10.0 112.037 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -63.77 114.07 3.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.666 0.269 . . . . 10.0 110.437 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -109.08 125.89 52.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.425 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.9 160.17 16.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.101 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -112.04 131.77 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.213 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.9 mt -127.97 147.44 50.49 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.13 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -93.76 123.03 36.83 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.258 0.551 . . . . 10.0 110.211 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.1 m -143.17 -179.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.552 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.474 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.4 mm-40 -146.27 164.06 26.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.023 -0.732 . . . . 10.0 109.023 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.81 -32.25 65.68 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.389 2.059 . . . . 10.0 113.002 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.4 10.15 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 10.0 112.233 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.67 149.62 26.39 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.215 -0.303 . . . . 10.0 110.239 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -100.73 145.26 28.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.82 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.04 -40.41 72.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.158 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.44 -37.36 80.69 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.24 0.543 . . . . 10.0 110.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.8 t30 -70.06 -38.79 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.523 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 78.3 t -62.12 -42.21 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.716 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -64.01 -33.39 75.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.869 0.366 . . . . 10.0 110.633 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.995 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 59.4 mttt -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.512 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.04 -39.05 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.726 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.77 -37.2 86.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.48 -0.782 . . . . 10.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.18 -16.99 60.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.935 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -106.32 -52.59 2.77 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.228 0.455 . . . . 10.0 112.228 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -87.8 -14.79 38.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.778 0.288 . . . . 10.0 111.778 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.33 21.06 79.98 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.983 -0.627 . . . . 10.0 113.101 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.6 mt -93.99 121.43 64.17 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 122.68 -0.306 . . . . 10.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.26 134.72 65.97 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.675 2.25 . . . . 10.0 112.236 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.63 -27.42 41.68 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.148 2.566 . . . . 10.0 113.38 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -21.36 62.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 10.0 111.147 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -103.52 11.1 36.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.557 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -104.9 133.2 50.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.484 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -139.06 104.5 5.05 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 79.2 mt -94.86 128.93 41.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.093 0.473 . . . . 10.0 111.692 -178.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -121.49 131.81 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.17 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.7 t80 -139.36 127.53 22.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.124 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.26 25.07 13.61 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.296 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.57 4.02 90.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.91 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -109.57 139.83 44.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.709 0.29 . . . . 10.0 110.298 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -81.28 127.17 32.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' B' ' 45' ' ' PHE . 21.6 mt -83.28 112.74 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.893 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 45.0 mt-10 -74.95 141.25 44.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.035 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.23 -36.49 70.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.179 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.92 24.33 9.15 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 121.129 -0.558 . . . . 10.0 113.731 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -121.46 161.95 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.979 0.419 . . . . 10.0 110.381 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -100.58 169.58 8.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.396 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.474 HD12 ' O ' ' B' ' 18' ' ' GLU . 95.3 mt -70.41 -32.94 70.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.931 0.396 . . . . 10.0 110.64 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -69.22 -28.66 66.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.238 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.06 -44.31 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.233 0.54 . . . . 10.0 110.895 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -89.18 8.77 28.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.203 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 63.79 30.77 14.49 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.571 0.545 . . . . 10.0 111.361 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.2 mt -78.34 107.77 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.772 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -105.14 -164.13 1.01 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.345 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 158.15 36.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.765 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 61.67 43.39 9.89 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.5 m -110.01 136.98 48.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.398 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -107.41 119.95 40.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.62 135.41 45.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.985 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 29.4 m170 -93.47 126.36 38.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -107.88 110.6 22.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.969 0.414 . . . . 10.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -88.53 134.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.052 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -90.25 130.76 36.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 10.0 111.237 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 72' ' ' ARG . 27.2 ttt180 -116.35 132.27 56.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.092 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 91.8 mt -126.56 161.82 27.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -104.97 95.46 5.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.942 0.401 . . . . 10.0 110.219 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.96 -158.75 20.15 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.646 -0.788 . . . . 10.0 111.547 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.655 -1.08 . . . . 10.0 111.601 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 453' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.699 -0.111 . . . . 10.0 110.699 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 454' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 60.65 26.76 16.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.22 0.533 . . . . 10.0 111.126 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 455' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -35.78 79.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 456' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -62.51 -45.27 93.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 457' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.31 -36.66 83.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.287 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 458' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -65.37 -47.2 77.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.397 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 459' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.978 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 460' ' ' MET . . . . . . . . . . . . . 13.7 mtm -70.54 -39.76 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.441 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.62 97.01 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.758 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 462' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -58.86 -34.8 72.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.786 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 463' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -63.84 -38.69 92.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 10.0 110.713 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 464' ' ' ILE . . . . . 0.412 HD11 HG12 ' C' ' 486' ' ' VAL . 76.8 mt -70.91 -35.64 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 465' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -63.71 -24.49 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.641 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 466' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.01 -13.08 60.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.963 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 467' ' ' MET . . . . . . . . . . . . . 44.3 mtm -102.8 -42.4 5.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.992 0.425 . . . . 10.0 110.273 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 468' ' ' PHE . . . . . 0.616 ' O ' HG12 ' C' ' 471' ' ' VAL . 15.5 m-85 -122.16 86.48 47.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.918 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 469' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.69 -9.72 22.84 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.754 2.303 . . . . 10.0 113.15 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 18.3 pm0 -87.61 -5.66 58.64 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.031 -0.268 . . . . 10.0 111.598 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 471' ' ' VAL . . . . . 0.616 HG12 ' O ' ' C' ' 468' ' ' PHE . 6.1 p -94.21 135.02 24.86 Favored Pre-proline 0 CA--C 1.534 0.356 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 472' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.96 126.9 20.73 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.292 1.995 . . . . 10.0 112.071 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 473' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -55.28 -37.73 67.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 10.0 112.208 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 474' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -66.5 -27.59 67.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.521 0.2 . . . . 10.0 111.076 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 475' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' C' ' 475' ' ' LEU . 10.3 mt -73.75 -37.43 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 10.0 109.982 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 476' ' ' VAL . . . . . . . . . . . . . 13.9 t -64.02 -45.82 95.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.872 -0.603 . . . . 10.0 109.52 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 477' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.27 -32.49 73.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.639 -0.709 . . . . 10.0 110.591 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.14 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.081 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 479' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' C' ' 489' ' ' THR . 23.6 t70 -69.08 -36.28 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 121.084 -0.246 . . . . 10.0 111.293 -179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 480' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.15 -25.89 62.01 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.851 0.357 . . . . 10.0 111.285 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 481' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.93 -5.03 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.059 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 482' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' C' ' 482' ' ' LEU . 2.9 mm? -113.72 -61.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 483' ' ' THR . . . . . . . . . . . . . 6.7 p -67.79 -46.05 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.71 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 484' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 63.82 25.87 14.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.876 -0.602 . . . . 10.0 111.003 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 485' ' ' SER . . . . . . . . . . . . . 11.5 t -153.48 106.01 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.764 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 486' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 8' ' ' LEU . 11.2 m -57.74 -25.96 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.918 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 487' ' ' GLU . . . . . 0.705 ' HB3' HD13 ' A' ' 73' ' ' LEU . 3.3 mp0 -64.45 -36.56 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.858 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 488' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.36 -30.9 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.152 0.501 . . . . 10.0 110.608 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 489' ' ' THR . . . . . 0.531 ' O ' HG13 ' C' ' 493' ' ' ILE . 58.7 m -61.34 -65.84 0.63 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.178 -178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 490' ' ' THR . . . . . 0.536 ' HB ' HG13 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -56.48 -35.03 67.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.953 -178.308 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 491' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 72' ' ' ARG . 21.0 t70 -65.96 -51.43 58.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.5 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 492' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.14 -26.46 68.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.866 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 493' ' ' ILE . . . . . 0.531 HG13 ' O ' ' C' ' 489' ' ' THR . 66.7 mt -67.25 -40.57 85.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 494' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.91 -35.62 59.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.544 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 495' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -54.22 33.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.923 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 496' ' ' GLY . . . . . . . . . . . . . . . 138.07 68.22 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.363 -0.922 . . . . 10.0 112.333 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 497' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -132.86 -58.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.923 0.392 . . . . 10.0 110.232 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 498' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.92 137.25 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.509 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 499' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.62 141.3 57.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.194 0.521 . . . . 10.0 111.512 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 500' ' ' VAL . . . . . . . . . . . . . 31.4 m -91.37 162.83 30.9 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.146 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 501' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 68.08 2.73 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.714 2.276 . . . . 10.0 111.749 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 502' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -92.25 125.75 55.29 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.685 -0.688 . . . . 10.0 110.712 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 503' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.23 117.42 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.676 2.251 . . . . 10.0 111.473 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 504' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.346 -0.835 . . . . 10.0 110.244 -179.535 . . . . . . . . 0 0 . 1 stop_ save_